5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide

C17H14ClN3O3 — CID 71857942

IUPAC5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(c1ncncc1Cl)N(Cc1ccc(O)cc1)Cc1ccco1
InChIInChI=1S/C17H14ClN3O3/c18-15-8-19-11-20-16(15)17(23)21(10-14-2-1-7-24-14)9-12-3-5-13(22)6-4-12/h1-8,11,22H,9-10H2
InChIKeyPNQJATYQLAVWHF-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.27
Rot. Bonds5

About 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide

5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 71857942) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID71857942
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(c1ncncc1Cl)N(Cc1ccc(O)cc1)Cc1ccco1
InChIInChI=1S/C17H14ClN3O3/c18-15-8-19-11-20-16(15)17(23)21(10-14-2-1-7-24-14)9-12-3-5-13(22)6-4-12/h1-8,11,22H,9-10H2
InChIKeyPNQJATYQLAVWHF-UHFFFAOYSA-N
XLogP3.27
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 52558245
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66483339
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
CID 71857943
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
6-chloro-N-ethyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 60738011

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide (CID 71857942) is 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide is O=C(c1ncncc1Cl)N(Cc1ccc(O)cc1)Cc1ccco1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is PNQJATYQLAVWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-15-8-19-11-20-16(15)17(23)21(10-14-2-1-7-24-14)9-12-3-5-13(22)6-4-12/h1-8,11,22H,9-10H2.
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide?
5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71857942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).