N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C19H19N7O2 — CID 121338389

IUPACN-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(c3ncc(C#N)cn3)CC2)c2cc[nH]c2c1=O
InChIInChI=1S/C19H19N7O2/c1-25-11-15(14-2-5-21-16(14)18(25)28)17(27)24-13-3-6-26(7-4-13)19-22-9-12(8-20)10-23-19/h2,5,9-11,13,21H,3-4,6-7H2,1H3,(H,24,27)
InChIKeyLMMGQPHADAWRRR-UHFFFAOYSA-N
MW377.41 g/mol
LogP0.93
Rot. Bonds3

About N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338389) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338389
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(c3ncc(C#N)cn3)CC2)c2cc[nH]c2c1=O
InChIInChI=1S/C19H19N7O2/c1-25-11-15(14-2-5-21-16(14)18(25)28)17(27)24-13-3-6-26(7-4-13)19-22-9-12(8-20)10-23-19/h2,5,9-11,13,21H,3-4,6-7H2,1H3,(H,24,27)
InChIKeyLMMGQPHADAWRRR-UHFFFAOYSA-N
XLogP0.93
TPSA119.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338536
6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338208
tert-butyl 3-[(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate;molecular hydrogen
CID 145081230
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
N-[4-[cyclobutyl-(1-propan-2-ylpiperidin-4-yl)carbamoyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonyl)amino]piperidin-1-yl]pyrimidine-4-carbonitrilium
CID 163583588
6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338347
N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338296
N-[(4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 145081572
6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338309
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338423
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338389) is N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is Cn1cc(C(=O)NC2CCN(c3ncc(C#N)cn3)CC2)c2cc[nH]c2c1=O.
What is the InChIKey of N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is LMMGQPHADAWRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-25-11-15(14-2-5-21-16(14)18(25)28)17(27)24-13-3-6-26(7-4-13)19-22-9-12(8-20)10-23-19/h2,5,9-11,13,21H,3-4,6-7H2,1H3,(H,24,27).
What are the key properties of N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).