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

C26H35N5O3 — CID 52917763

IUPACN-[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
SMILESCOc1ncccc1C(=O)NC(CC1CCCC2CCCC[C@@H]21)C(=O)NCc1ccc(N)nc1
InChIInChI=1S/C26H35N5O3/c1-34-26-21(10-5-13-28-26)24(32)31-22(25(33)30-16-17-11-12-23(27)29-15-17)14-19-8-4-7-18-6-2-3-9-20(18)19/h5,10-13,15,18-20,22H,2-4,6-9,14,16H2,1H3,(H2,27,29)(H,30,33)(H,31,32)/t18?,19?,20-,22?/m0/s1
InChIKeyXEYWWZVEKCANGM-LJYGWVNYSA-N
MW465.60 g/mol
LogP3.48
Rot. Bonds8

About 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

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 (PubChem CID 52917763) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID52917763
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC NameN-[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
SMILESCOc1ncccc1C(=O)NC(CC1CCCC2CCCC[C@@H]21)C(=O)NCc1ccc(N)nc1
InChIInChI=1S/C26H35N5O3/c1-34-26-21(10-5-13-28-26)24(32)31-22(25(33)30-16-17-11-12-23(27)29-15-17)14-19-8-4-7-18-6-2-3-9-20(18)19/h5,10-13,15,18-20,22H,2-4,6-9,14,16H2,1H3,(H2,27,29)(H,30,33)(H,31,32)/t18?,19?,20-,22?/m0/s1
InChIKeyXEYWWZVEKCANGM-LJYGWVNYSA-N
XLogP3.48
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 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]cyclopentanecarboxamide
CID 162203710
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
(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
(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-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113273848
(2R)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2-amino-3-methylbutanamide
CID 68529194
(2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-3-methyl-2-(methylamino)pentanamide
CID 90859356
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-methoxypyridine-3-carboxamide
CID 62874305
(2R)-N-[(2R)-1-[(6-amino-3-pyridinyl)methylamino]-3,3-dicyclohexyl-1-oxopropan-2-yl]-2-hydroxy-4-methylpentanamide
CID 52917481
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
CID 62876323

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncccc1C(=O)NC(CC1CCCC2CCCC[C@@H]21)C(=O)NCc1ccc(N)nc1.
What is the InChIKey of 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?
The InChIKey is XEYWWZVEKCANGM-LJYGWVNYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-34-26-21(10-5-13-28-26)24(32)31-22(25(33)30-16-17-11-12-23(27)29-15-17)14-19-8-4-7-18-6-2-3-9-20(18)19/h5,10-13,15,18-20,22H,2-4,6-9,14,16H2,1H3,(H2,27,29)(H,30,33)(H,31,32)/t18?,19?,20-,22?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 465.60 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 52917763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).