(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide

C24H36N6O3 — CID 110158369

IUPAC(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide
SMILESCC(=O)NCCCC[C@H](N)C(=O)N(C)CC1(O)CCN(c2ccnc3ccc(C)nc23)CC1
InChIInChI=1S/C24H36N6O3/c1-17-7-8-20-22(28-17)21(9-13-27-20)30-14-10-24(33,11-15-30)16-29(3)23(32)19(25)6-4-5-12-26-18(2)31/h7-9,13,19,33H,4-6,10-12,14-16,25H2,1-3H3,(H,26,31)/t19-/m0/s1
InChIKeyNIFVBLPQELYZAE-IBGZPJMESA-N
MW456.59 g/mol
LogP1.36
Rot. Bonds9

About (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide

(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide (PubChem CID 110158369) has the molecular formula C24H36N6O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide
PubChem CID110158369
Molecular FormulaC24H36N6O3
Molecular Weight456.59 g/mol
Exact Mass456.28
IUPAC Name(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide
SMILESCC(=O)NCCCC[C@H](N)C(=O)N(C)CC1(O)CCN(c2ccnc3ccc(C)nc23)CC1
InChIInChI=1S/C24H36N6O3/c1-17-7-8-20-22(28-17)21(9-13-27-20)30-14-10-24(33,11-15-30)16-29(3)23(32)19(25)6-4-5-12-26-18(2)31/h7-9,13,19,33H,4-6,10-12,14-16,25H2,1-3H3,(H,26,31)/t19-/m0/s1
InChIKeyNIFVBLPQELYZAE-IBGZPJMESA-N
XLogP1.36
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide
CID 124984438
5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide
CID 125008096
4-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobut-2-enoic acid
CID 171146926
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110158915
N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-3-[2-(methylamino)ethoxy]benzamide
CID 110155269
5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
CID 110153845
5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide
CID 110153944
5-[[(3R)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 125004730
4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride
CID 171688424
4-(2-aminoethoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110153963
(4S)-4-amino-5-[(4-hydroxy-1-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-4-yl)methyl-methylamino]-5-oxopentanoic acid
CID 110158455
(2S)-2-amino-5-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-5-oxopentanoic acid
CID 110154597

Frequently Asked Questions

What is the IUPAC name of (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide?
The IUPAC name of (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide (CID 110158369) is (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide.
What is the SMILES notation for (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide?
The canonical SMILES for (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide is CC(=O)NCCCC[C@H](N)C(=O)N(C)CC1(O)CCN(c2ccnc3ccc(C)nc23)CC1.
What is the InChIKey of (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide?
The InChIKey is NIFVBLPQELYZAE-IBGZPJMESA-N. The full InChI is InChI=1S/C24H36N6O3/c1-17-7-8-20-22(28-17)21(9-13-27-20)30-14-10-24(33,11-15-30)16-29(3)23(32)19(25)6-4-5-12-26-18(2)31/h7-9,13,19,33H,4-6,10-12,14-16,25H2,1-3H3,(H,26,31)/t19-/m0/s1.
What are the key properties of (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide?
(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide has a molecular weight of 456.59 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide is sourced from PubChem (CID 110158369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).