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

C19H19N5O — CID 37311675

IUPACN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)c1cnc2ccccc2n1
InChIInChI=1S/C19H19N5O/c25-19(17-13-21-15-5-1-2-6-16(15)23-17)22-12-14-7-8-20-18(11-14)24-9-3-4-10-24/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,22,25)
InChIKeyUNDQDPJOCLRELB-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.56
Rot. Bonds4

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

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide (PubChem CID 37311675) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
PubChem CID37311675
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)c1cnc2ccccc2n1
InChIInChI=1S/C19H19N5O/c25-19(17-13-21-15-5-1-2-6-16(15)23-17)22-12-14-7-8-20-18(11-14)24-9-3-4-10-24/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,22,25)
InChIKeyUNDQDPJOCLRELB-UHFFFAOYSA-N
XLogP2.56
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide
CID 122327585
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 55533813
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]quinoxaline-2-carboxamide
CID 91630434
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 154833370
2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641088
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide (CID 37311675) is N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide is O=C(NCc1ccnc(N2CCCC2)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide?
The InChIKey is UNDQDPJOCLRELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(17-13-21-15-5-1-2-6-16(15)23-17)22-12-14-7-8-20-18(11-14)24-9-3-4-10-24/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,22,25).
What are the key properties of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide?
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 37311675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).