N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide

C21H29N5O3 — CID 156851544

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide
SMILESCc1nc(N)ccc1CNC(=O)C(C)NC(=O)CNCCCc1cccc(O)c1
InChIInChI=1S/C21H29N5O3/c1-14-17(8-9-19(22)25-14)12-24-21(29)15(2)26-20(28)13-23-10-4-6-16-5-3-7-18(27)11-16/h3,5,7-9,11,15,23,27H,4,6,10,12-13H2,1-2H3,(H2,22,25)(H,24,29)(H,26,28)
InChIKeySFIVCLZRXLZVRS-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.02
Rot. Bonds10

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide (PubChem CID 156851544) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide
PubChem CID156851544
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide
SMILESCc1nc(N)ccc1CNC(=O)C(C)NC(=O)CNCCCc1cccc(O)c1
InChIInChI=1S/C21H29N5O3/c1-14-17(8-9-19(22)25-14)12-24-21(29)15(2)26-20(28)13-23-10-4-6-16-5-3-7-18(27)11-16/h3,5,7-9,11,15,23,27H,4,6,10,12-13H2,1-2H3,(H2,22,25)(H,24,29)(H,26,28)
InChIKeySFIVCLZRXLZVRS-UHFFFAOYSA-N
XLogP1.02
TPSA129.37 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N'-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[2-(3-hydroxyphenyl)ethylamino]-3-methyl-2-(2-phenylethyl)butanediamide
CID 153286693
[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
CID 175130377
2-[1-(4-acetamidophenyl)ethylamino]-N-[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide;dihydrochloride
CID 175126384
(2S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide
CID 166752536
(2S)-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(4-phenylbutanoylamino)butanediamide
CID 118234330
1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 153286987
(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(4-methylnaphthalen-1-yl)methyl]pyrrolidine-2-carboxamide
CID 149338240
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[[3-(3-chloropropylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 175784770
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269
(1R)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-3,3-bis[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 147173808

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide (CID 156851544) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide is Cc1nc(N)ccc1CNC(=O)C(C)NC(=O)CNCCCc1cccc(O)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide?
The InChIKey is SFIVCLZRXLZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14-17(8-9-19(22)25-14)12-24-21(29)15(2)26-20(28)13-23-10-4-6-16-5-3-7-18(27)11-16/h3,5,7-9,11,15,23,27H,4,6,10,12-13H2,1-2H3,(H2,22,25)(H,24,29)(H,26,28).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide has a molecular weight of 399.50 g/mol, XLogP of 1.02, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[2-[3-(3-hydroxyphenyl)propylamino]acetyl]amino]propanamide is sourced from PubChem (CID 156851544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).