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

C20H21N7O2 — CID 121338536

IUPACN-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(c2ncc(C#N)cn2)CC1
InChIInChI=1S/C20H21N7O2/c1-25-12-16(15-3-6-22-17(15)19(25)29)18(28)26(2)14-4-7-27(8-5-14)20-23-10-13(9-21)11-24-20/h3,6,10-12,14,22H,4-5,7-8H2,1-2H3
InChIKeyXJPIKXMQCPSSLY-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.27
Rot. Bonds3

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

N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338536) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338536
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC NameN-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(c2ncc(C#N)cn2)CC1
InChIInChI=1S/C20H21N7O2/c1-25-12-16(15-3-6-22-17(15)19(25)29)18(28)26(2)14-4-7-27(8-5-14)20-23-10-13(9-21)11-24-20/h3,6,10-12,14,22H,4-5,7-8H2,1-2H3
InChIKeyXJPIKXMQCPSSLY-UHFFFAOYSA-N
XLogP1.27
TPSA110.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338389
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
N,6-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338423
N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 145081262
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338547
6-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338208
N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 162001427
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N,3,6-trimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 163766585
N-methyl-7-oxo-N-piperidin-4-yl-1,6-dihydropyrrolo[2,3-c]pyridine-4-carboxamide
CID 121334702
N,2-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
CID 158222217
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338536) is N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-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]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CN(C(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CCN(c2ncc(C#N)cn2)CC1.
What is the InChIKey of N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is XJPIKXMQCPSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-25-12-16(15-3-6-22-17(15)19(25)29)18(28)26(2)14-4-7-27(8-5-14)20-23-10-13(9-21)11-24-20/h3,6,10-12,14,22H,4-5,7-8H2,1-2H3.
What are the key properties of N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 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]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).