1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

C17H20N4O2 — CID 51081423

IUPAC1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(N3CCCC3)nc2)ccc1=O
InChIInChI=1S/C17H20N4O2/c1-20-12-14(5-7-16(20)22)17(23)19-11-13-4-6-15(18-10-13)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,23)
InChIKeyHQRBKNCKVLHJQI-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.31
Rot. Bonds4

About 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 51081423) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID51081423
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(N3CCCC3)nc2)ccc1=O
InChIInChI=1S/C17H20N4O2/c1-20-12-14(5-7-16(20)22)17(23)19-11-13-4-6-15(18-10-13)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,23)
InChIKeyHQRBKNCKVLHJQI-UHFFFAOYSA-N
XLogP1.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 51081423) is 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is Cn1cc(C(=O)NCc2ccc(N3CCCC3)nc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is HQRBKNCKVLHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-12-14(5-7-16(20)22)17(23)19-11-13-4-6-15(18-10-13)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,19,23).
What are the key properties of 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 51081423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).