N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C20H25N7O2 — CID 166394490

IUPACN-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC1CN(C(=O)CCc2ncn[nH]2)CCC1CNC(=O)c1cc2cnccc2[nH]1
InChIInChI=1S/C20H25N7O2/c1-13-11-27(19(28)3-2-18-23-12-24-26-18)7-5-14(13)10-22-20(29)17-8-15-9-21-6-4-16(15)25-17/h4,6,8-9,12-14,25H,2-3,5,7,10-11H2,1H3,(H,22,29)(H,23,24,26)
InChIKeyVTLASYSQDOIBFL-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.53
Rot. Bonds6

About N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 166394490) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID166394490
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC1CN(C(=O)CCc2ncn[nH]2)CCC1CNC(=O)c1cc2cnccc2[nH]1
InChIInChI=1S/C20H25N7O2/c1-13-11-27(19(28)3-2-18-23-12-24-26-18)7-5-14(13)10-22-20(29)17-8-15-9-21-6-4-16(15)25-17/h4,6,8-9,12-14,25H,2-3,5,7,10-11H2,1H3,(H,22,29)(H,23,24,26)
InChIKeyVTLASYSQDOIBFL-UHFFFAOYSA-N
XLogP1.53
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 167876966
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 155027416
N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71010276
N-[[6-[4-[(dimethylamino)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90011963
2,2-dimethylpropyl 2-[(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 130290365
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536
N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90012764
N-[[4-(2,2-dimethylbutanoyl)-4-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90013339
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 166394490) is N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CC1CN(C(=O)CCc2ncn[nH]2)CCC1CNC(=O)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is VTLASYSQDOIBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13-11-27(19(28)3-2-18-23-12-24-26-18)7-5-14(13)10-22-20(29)17-8-15-9-21-6-4-16(15)25-17/h4,6,8-9,12-14,25H,2-3,5,7,10-11H2,1H3,(H,22,29)(H,23,24,26).
What are the key properties of N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 166394490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).