2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

C20H17N5O2 — CID 109306327

IUPAC2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C20H17N5O2/c1-27-18-8-3-2-6-15(18)13-23-19(26)17-9-10-22-20(25-17)24-16-7-4-5-14(11-16)12-21/h2-11H,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyCNYMGBBVNRQTMM-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.03
Rot. Bonds6

About 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109306327) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109306327
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C20H17N5O2/c1-27-18-8-3-2-6-15(18)13-23-19(26)17-9-10-22-20(25-17)24-16-7-4-5-14(11-16)12-21/h2-11H,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyCNYMGBBVNRQTMM-UHFFFAOYSA-N
XLogP3.03
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyanoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317597
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306303
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549
4-(4-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212035
2-(3-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311960
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
2-(3,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305458
2-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308543
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109306281
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329155

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 109306327) is 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is COc1ccccc1CNC(=O)c1ccnc(Nc2cccc(C#N)c2)n1.
What is the InChIKey of 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is CNYMGBBVNRQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-18-8-3-2-6-15(18)13-23-19(26)17-9-10-22-20(25-17)24-16-7-4-5-14(11-16)12-21/h2-11H,13H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109306327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).