2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

C17H13N5O2 — CID 109303579

IUPAC2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1Nc1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H13N5O2/c18-10-12-4-1-2-6-14(12)21-17-19-8-7-15(22-17)16(23)20-11-13-5-3-9-24-13/h1-9H,11H2,(H,20,23)(H,19,21,22)
InChIKeyRMVOHVASDMPGDO-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.61
Rot. Bonds5

About 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109303579) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109303579
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1Nc1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H13N5O2/c18-10-12-4-1-2-6-14(12)21-17-19-8-7-15(22-17)16(23)20-11-13-5-3-9-24-13/h1-9H,11H2,(H,20,23)(H,19,21,22)
InChIKeyRMVOHVASDMPGDO-UHFFFAOYSA-N
XLogP2.61
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
N-butyl-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109296685
ethyl 2-[[4-(furan-2-ylmethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303578
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303563
2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295903
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303534
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303559

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109303579) is 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is N#Cc1ccccc1Nc1nccc(C(=O)NCc2ccco2)n1.
What is the InChIKey of 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is RMVOHVASDMPGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c18-10-12-4-1-2-6-14(12)21-17-19-8-7-15(22-17)16(23)20-11-13-5-3-9-24-13/h1-9H,11H2,(H,20,23)(H,19,21,22).
What are the key properties of 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide?
2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).