N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

C25H23N5O2 — CID 56924673

IUPACN-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4c[nH]c5ccccc45)c3)cc21
InChIInChI=1S/C25H23N5O2/c1-30-22-13-19(15-28-23(22)29-25(30)32)16-6-4-7-17(12-16)24(31)26-11-5-8-18-14-27-21-10-3-2-9-20(18)21/h2-4,6-7,9-10,12-15,27H,5,8,11H2,1H3,(H,26,31)(H,28,29,32)
InChIKeyGMYZNTFCTZUZKI-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.77
Rot. Bonds6

About N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 56924673) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID56924673
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4c[nH]c5ccccc45)c3)cc21
InChIInChI=1S/C25H23N5O2/c1-30-22-13-19(15-28-23(22)29-25(30)32)16-6-4-7-17(12-16)24(31)26-11-5-8-18-14-27-21-10-3-2-9-20(18)21/h2-4,6-7,9-10,12-15,27H,5,8,11H2,1H3,(H,26,31)(H,28,29,32)
InChIKeyGMYZNTFCTZUZKI-UHFFFAOYSA-N
XLogP3.77
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(aminomethyl)phenyl]propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56951514
2-benzyl-3-[[3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoyl]amino]propanoic acid
CID 56951391
N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide
CID 167952935
N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 119058397
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766514
1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 146127382
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24663733
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 56924673) is N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4c[nH]c5ccccc45)c3)cc21.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is GMYZNTFCTZUZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-30-22-13-19(15-28-23(22)29-25(30)32)16-6-4-7-17(12-16)24(31)26-11-5-8-18-14-27-21-10-3-2-9-20(18)21/h2-4,6-7,9-10,12-15,27H,5,8,11H2,1H3,(H,26,31)(H,28,29,32).
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 425.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 56924673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).