N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide

C21H22N4O2 — CID 109169290

IUPACN-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H22N4O2/c26-21(23-15-19-4-3-13-27-19)16-9-10-22-20(14-16)24-17-5-7-18(8-6-17)25-11-1-2-12-25/h3-10,13-14H,1-2,11-12,15H2,(H,22,24)(H,23,26)
InChIKeyIJRCKCYYUFVMOM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.95
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide

N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide (PubChem CID 109169290) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
PubChem CID109169290
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
SMILESO=C(NCc1ccco1)c1ccnc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H22N4O2/c26-21(23-15-19-4-3-13-27-19)16-9-10-22-20(14-16)24-17-5-7-18(8-6-17)25-11-1-2-12-25/h3-10,13-14H,1-2,11-12,15H2,(H,22,24)(H,23,26)
InChIKeyIJRCKCYYUFVMOM-UHFFFAOYSA-N
XLogP3.95
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109172228
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169271
N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109169297
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
N-(furan-2-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172710
2-(4-morpholin-4-ylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092220
[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109169331
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide (CID 109169290) is N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide is O=C(NCc1ccco1)c1ccnc(Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide?
The InChIKey is IJRCKCYYUFVMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(23-15-19-4-3-13-27-19)16-9-10-22-20(14-16)24-17-5-7-18(8-6-17)25-11-1-2-12-25/h3-10,13-14H,1-2,11-12,15H2,(H,22,24)(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide?
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109169290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).