N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

C19H19N5O2 — CID 109258753

IUPACN-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(NCc3ccccn3)nc2)cc1
InChIInChI=1S/C19H19N5O2/c1-2-26-17-8-6-15(7-9-17)24-18(25)14-11-21-19(22-12-14)23-13-16-5-3-4-10-20-16/h3-12H,2,13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyCOSKBDSWFSXDIB-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.13
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109258753) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109258753
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(NCc3ccccn3)nc2)cc1
InChIInChI=1S/C19H19N5O2/c1-2-26-17-8-6-15(7-9-17)24-18(25)14-11-21-19(22-12-14)23-13-16-5-3-4-10-20-16/h3-12H,2,13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyCOSKBDSWFSXDIB-UHFFFAOYSA-N
XLogP3.13
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-propan-2-yloxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258756
methyl 4-[[2-(pyridin-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109258769
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258745
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
N-(4-methoxyphenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235142
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109249139
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109258753) is N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(NCc3ccccn3)nc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is COSKBDSWFSXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-26-17-8-6-15(7-9-17)24-18(25)14-11-21-19(22-12-14)23-13-16-5-3-4-10-20-16/h3-12H,2,13H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).