(2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide

C25H41N5O2 — CID 59252953

IUPAC(2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide
SMILESCCC(C)[C@@H](N)C(=O)N[C@@H](CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1
InChIInChI=1S/C25H41N5O2/c1-3-16(2)23(27)25(32)30-21(24(31)29-15-17-11-12-22(26)28-14-17)13-19-9-6-8-18-7-4-5-10-20(18)19/h11-12,14,16,18-21,23H,3-10,13,15,27H2,1-2H3,(H2,26,28)(H,29,31)(H,30,32)/t16?,18?,19?,20?,21-,23+/m0/s1
InChIKeyFRDOQPBKGWUVOP-JEZIXGPTSA-N
MW443.64 g/mol
LogP3.13
Rot. Bonds9

About (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide

(2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide (PubChem CID 59252953) has the molecular formula C25H41N5O2 and a molecular weight of 443.64 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide
PubChem CID59252953
Molecular FormulaC25H41N5O2
Molecular Weight443.64 g/mol
Exact Mass443.33
IUPAC Name(2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide
SMILESCCC(C)[C@@H](N)C(=O)N[C@@H](CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1
InChIInChI=1S/C25H41N5O2/c1-3-16(2)23(27)25(32)30-21(24(31)29-15-17-11-12-22(26)28-14-17)13-19-9-6-8-18-7-4-5-10-20(18)19/h11-12,14,16,18-21,23H,3-10,13,15,27H2,1-2H3,(H2,26,28)(H,29,31)(H,30,32)/t16?,18?,19?,20?,21-,23+/m0/s1
InChIKeyFRDOQPBKGWUVOP-JEZIXGPTSA-N
XLogP3.13
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide with MolForge

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Related Compounds

N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylbutanamide
CID 68529058
N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 162203710
(2R)-3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-2-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(6-amino-3-pyridinyl)methyl]propanamide
CID 67030069
N-[3-[(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-methoxypyridine-3-carboxamide
CID 52917763
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-3-methyl-2-(methylamino)pentanamide
CID 90859356
(2S)-2-amino-N-[(2R)-1-[(6-amino-3-pyridinyl)methylamino]-3,3-dicyclohexyl-1-oxopropan-2-yl]-3-methylpentanamide;bis(2,2,2-trifluoroacetic acid)
CID 172831069
(2S)-2-amino-N-[(2R)-1-[(6-amino-3-pyridinyl)methylamino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-3-methylpentanamide
CID 90823184
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
tert-butyl N-[(3S)-1-[[(2R)-1-[(6-amino-3-pyridinyl)methylamino]-3,3-dicyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 68531297
(2R)-N-[(2R)-1-[(6-amino-3-pyridinyl)methylamino]-3,3-dicyclohexyl-1-oxopropan-2-yl]-2-hydroxy-4-methylpentanamide
CID 52917481
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-3-methyl-2-(methylamino)pentanamide
CID 59252924
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-fluorophenyl)-1-oxopropan-2-yl]-2-(dimethylamino)-3-methylpentanamide
CID 67029722

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide?
The IUPAC name of (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide (CID 59252953) is (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide.
What is the SMILES notation for (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide?
The canonical SMILES for (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide is CCC(C)[C@@H](N)C(=O)N[C@@H](CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1.
What is the InChIKey of (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide?
The InChIKey is FRDOQPBKGWUVOP-JEZIXGPTSA-N. The full InChI is InChI=1S/C25H41N5O2/c1-3-16(2)23(27)25(32)30-21(24(31)29-15-17-11-12-22(26)28-14-17)13-19-9-6-8-18-7-4-5-10-20(18)19/h11-12,14,16,18-21,23H,3-10,13,15,27H2,1-2H3,(H2,26,28)(H,29,31)(H,30,32)/t16?,18?,19?,20?,21-,23+/m0/s1.
What are the key properties of (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide?
(2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide has a molecular weight of 443.64 g/mol, XLogP of 3.13, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylpentanamide is sourced from PubChem (CID 59252953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).