N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide

C29H37N5O2 — CID 87332007

IUPACN-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCc1ccc2c(n1)NCCC2)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C29H37N5O2/c1-2-24(35)13-7-4-8-14-25(29-31-20-26(34-29)21-10-5-3-6-11-21)33-27(36)18-17-23-16-15-22-12-9-19-30-28(22)32-23/h3,5-6,10-11,15-16,20,25H,2,4,7-9,12-14,17-19H2,1H3,(H,30,32)(H,31,34)(H,33,36)/t25-/m0/s1
InChIKeySUCFVRWNJAKAJN-VWLOTQADSA-N
MW487.65 g/mol
LogP5.55
Rot. Bonds13

About N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide

N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide (PubChem CID 87332007) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide
PubChem CID87332007
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC NameN-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCc1ccc2c(n1)NCCC2)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C29H37N5O2/c1-2-24(35)13-7-4-8-14-25(29-31-20-26(34-29)21-10-5-3-6-11-21)33-27(36)18-17-23-16-15-22-12-9-19-30-28(22)32-23/h3,5-6,10-11,15-16,20,25H,2,4,7-9,12-14,17-19H2,1H3,(H,30,32)(H,31,34)(H,33,36)/t25-/m0/s1
InChIKeySUCFVRWNJAKAJN-VWLOTQADSA-N
XLogP5.55
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 87331579
3-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097
2-(2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]acetamide
CID 87331254
N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide
CID 20691582
3-(7-methoxy-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]propanamide;2,2,2-trifluoroacetic acid
CID 171928591
2-(diethylcarbamoylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 146483447
ethyl 3-quinolin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate
CID 54463792
3-(4-methoxyphenyl)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 118721325
2-[(2-phenylcyclohexene-1-carbonyl)amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 146483404
2-(2-ethyl-5-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]acetamide;2,2,2-trifluoroacetic acid
CID 171928550
N-[(1S)-1-(5-isoquinolin-7-yl-1H-imidazol-2-yl)-7-oxononyl]-2-methyloxolane-2-carboxamide
CID 147998160
2-naphthalen-2-yl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide;2,2,2-trifluoroacetic acid
CID 171932643

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide?
The IUPAC name of N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide (CID 87332007) is N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide.
What is the SMILES notation for N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide?
The canonical SMILES for N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide is CCC(=O)CCCCC[C@H](NC(=O)CCc1ccc2c(n1)NCCC2)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide?
The InChIKey is SUCFVRWNJAKAJN-VWLOTQADSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-2-24(35)13-7-4-8-14-25(29-31-20-26(34-29)21-10-5-3-6-11-21)33-27(36)18-17-23-16-15-22-12-9-19-30-28(22)32-23/h3,5-6,10-11,15-16,20,25H,2,4,7-9,12-14,17-19H2,1H3,(H,30,32)(H,31,34)(H,33,36)/t25-/m0/s1.
What are the key properties of N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide?
N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide has a molecular weight of 487.65 g/mol, XLogP of 5.55, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide is sourced from PubChem (CID 87332007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).