(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide

C21H33N3O3 — CID 69323988

IUPAC(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1cccnc1
InChIInChI=1S/C21H33N3O3/c1-4-18(25)10-6-5-7-11-19(24-20(26)13-12-16(2)3)21(27)23-17-9-8-14-22-15-17/h8-9,14-16,19H,4-7,10-13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyXOXOAKVAGMAXIM-IBGZPJMESA-N
MW375.51 g/mol
LogP3.87
Rot. Bonds13

About (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide

(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide (PubChem CID 69323988) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide
PubChem CID69323988
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1cccnc1
InChIInChI=1S/C21H33N3O3/c1-4-18(25)10-6-5-7-11-19(24-20(26)13-12-16(2)3)21(27)23-17-9-8-14-22-15-17/h8-9,14-16,19H,4-7,10-13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyXOXOAKVAGMAXIM-IBGZPJMESA-N
XLogP3.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide
CID 69320613
(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
CID 69322278
N'-[(2R)-heptan-2-yl]-N-pyridin-3-ylbutanediamide
CID 40595898
N-[2-[[(2S)-1-(3-acetylanilino)-1,8-dioxodecan-2-yl]amino]-2-oxoethyl]benzamide
CID 69318533
N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide
CID 151676294
1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea
CID 167246935
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
(7S)-7-[4-(dimethylamino)phenyl]-8-oxo-8-(pyridin-3-ylamino)octanoic acid
CID 142680491
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111173723
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide?
The IUPAC name of (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide (CID 69323988) is (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide.
What is the SMILES notation for (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide?
The canonical SMILES for (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide is CCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1cccnc1.
What is the InChIKey of (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide?
The InChIKey is XOXOAKVAGMAXIM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-18(25)10-6-5-7-11-19(24-20(26)13-12-16(2)3)21(27)23-17-9-8-14-22-15-17/h8-9,14-16,19H,4-7,10-13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide?
(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide has a molecular weight of 375.51 g/mol, XLogP of 3.87, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide is sourced from PubChem (CID 69323988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).