2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide

C21H22N4O — CID 36754760

IUPAC2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)c2ccccc2n1
InChIInChI=1S/C21H22N4O/c1-15-12-18(17-6-2-3-7-19(17)24-15)21(26)23-14-16-8-9-22-20(13-16)25-10-4-5-11-25/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,23,26)
InChIKeyAWLVIEWQOCXIEJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.47
Rot. Bonds4

About 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide

2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide (PubChem CID 36754760) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
PubChem CID36754760
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)c2ccccc2n1
InChIInChI=1S/C21H22N4O/c1-15-12-18(17-6-2-3-7-19(17)24-15)21(26)23-14-16-8-9-22-20(13-16)25-10-4-5-11-25/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,23,26)
InChIKeyAWLVIEWQOCXIEJ-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 55533813
3,6-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 87005260
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428
3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
CID 71888974
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide (CID 36754760) is 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide?
The InChIKey is AWLVIEWQOCXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-12-18(17-6-2-3-7-19(17)24-15)21(26)23-14-16-8-9-22-20(13-16)25-10-4-5-11-25/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,23,26).
What are the key properties of 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide?
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 36754760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).