N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide

C19H16N4O2 — CID 167976591

IUPACN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)COC2)c1ccnc(-c2cccnc2)n1
InChIInChI=1S/C19H16N4O2/c24-19(22-9-13-3-4-15-11-25-12-16(15)8-13)17-5-7-21-18(23-17)14-2-1-6-20-10-14/h1-8,10H,9,11-12H2,(H,22,24)
InChIKeyVNFNSQJALIOVIO-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.50
Rot. Bonds4

About N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide

N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide (PubChem CID 167976591) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide
PubChem CID167976591
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)COC2)c1ccnc(-c2cccnc2)n1
InChIInChI=1S/C19H16N4O2/c24-19(22-9-13-3-4-15-11-25-12-16(15)8-13)17-5-7-21-18(23-17)14-2-1-6-20-10-14/h1-8,10H,9,11-12H2,(H,22,24)
InChIKeyVNFNSQJALIOVIO-UHFFFAOYSA-N
XLogP2.50
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide
CID 70978537
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
N-[(4-pyridin-3-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 66633812
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
1-hydroxy-N-(pyridin-3-ylmethyl)-3H-2,1-benzoxaborole-6-carboxamide
CID 157476227
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 131701996

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide (CID 167976591) is N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide is O=C(NCc1ccc2c(c1)COC2)c1ccnc(-c2cccnc2)n1.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide?
The InChIKey is VNFNSQJALIOVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-19(22-9-13-3-4-15-11-25-12-16(15)8-13)17-5-7-21-18(23-17)14-2-1-6-20-10-14/h1-8,10H,9,11-12H2,(H,22,24).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-pyridin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 167976591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).