N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

C18H19N5O2 — CID 109303441

IUPACN-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)c1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H19N5O2/c1-23(11-7-14-4-8-19-9-5-14)18-20-10-6-16(22-18)17(24)21-13-15-3-2-12-25-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,21,24)
InChIKeyXMXGUJKCUNZQBJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.07
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 109303441) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
PubChem CID109303441
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)c1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C18H19N5O2/c1-23(11-7-14-4-8-19-9-5-14)18-20-10-6-16(22-18)17(24)21-13-15-3-2-12-25-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,21,24)
InChIKeyXMXGUJKCUNZQBJ-UHFFFAOYSA-N
XLogP2.07
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296153
4-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889124
2-(furan-2-ylmethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109303271
N-(furan-2-ylmethyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109303485
N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109060496
2-N-(furan-2-ylmethyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889297
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
5-N-(furan-2-ylmethyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112947192
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109308987
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (CID 109303441) is N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is CN(CCc1ccncc1)c1nccc(C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is XMXGUJKCUNZQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23(11-7-14-4-8-19-9-5-14)18-20-10-6-16(22-18)17(24)21-13-15-3-2-12-25-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109303441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).