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

C16H22N4O2 — CID 121338347

IUPAC6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCn1cc(C(=O)NCCC2CCNCC2)c2cc[nH]c2c1=O
InChIInChI=1S/C16H22N4O2/c1-20-10-13(12-5-9-18-14(12)16(20)22)15(21)19-8-4-11-2-6-17-7-3-11/h5,9-11,17-18H,2-4,6-8H2,1H3,(H,19,21)
InChIKeyKXXWUZAEPOYEFD-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.99
Rot. Bonds4

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

6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 121338347) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID121338347
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCn1cc(C(=O)NCCC2CCNCC2)c2cc[nH]c2c1=O
InChIInChI=1S/C16H22N4O2/c1-20-10-13(12-5-9-18-14(12)16(20)22)15(21)19-8-4-11-2-6-17-7-3-11/h5,9-11,17-18H,2-4,6-8H2,1H3,(H,19,21)
InChIKeyKXXWUZAEPOYEFD-UHFFFAOYSA-N
XLogP0.99
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338309
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338389
tert-butyl 3-[(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate;molecular hydrogen
CID 145081230
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide
CID 90238996
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338547
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 121338347) is 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is Cn1cc(C(=O)NCCC2CCNCC2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is KXXWUZAEPOYEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-20-10-13(12-5-9-18-14(12)16(20)22)15(21)19-8-4-11-2-6-17-7-3-11/h5,9-11,17-18H,2-4,6-8H2,1H3,(H,19,21).
What are the key properties of 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-oxo-N-(2-piperidin-4-ylethyl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 121338347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).