N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C17H13Cl2N5O — CID 109307006

IUPACN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H13Cl2N5O/c18-13-5-4-11(9-14(13)19)23-16(25)15-6-8-21-17(24-15)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,23,25)(H,21,22,24)
InChIKeyFJSQIJAPYZWKLH-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.04
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307006) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307006
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC NameN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H13Cl2N5O/c18-13-5-4-11(9-14(13)19)23-16(25)15-6-8-21-17(24-15)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,23,25)(H,21,22,24)
InChIKeyFJSQIJAPYZWKLH-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306960
N-(4-bromo-3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306996
N-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306963
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171792
2-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109306986
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093
N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305822
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109307006) is N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is FJSQIJAPYZWKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c18-13-5-4-11(9-14(13)19)23-16(25)15-6-8-21-17(24-15)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,23,25)(H,21,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).