2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

C17H13Cl2N5O — CID 109258652

IUPAC2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C17H13Cl2N5O/c18-12-5-13(19)7-15(6-12)24-17-22-8-11(9-23-17)16(25)21-10-14-3-1-2-4-20-14/h1-9H,10H2,(H,21,25)(H,22,23,24)
InChIKeyBCPWQZQABXGCTI-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.85
Rot. Bonds5

About 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109258652) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109258652
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C17H13Cl2N5O/c18-12-5-13(19)7-15(6-12)24-17-22-8-11(9-23-17)16(25)21-10-14-3-1-2-4-20-14/h1-9H,10H2,(H,21,25)(H,22,23,24)
InChIKeyBCPWQZQABXGCTI-UHFFFAOYSA-N
XLogP3.85
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258580
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258640
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258637
2-(3,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380287
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109268637
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963474

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (CID 109258652) is 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1ccccn1)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is BCPWQZQABXGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c18-12-5-13(19)7-15(6-12)24-17-22-8-11(9-23-17)16(25)21-10-14-3-1-2-4-20-14/h1-9H,10H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).