2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide

C12H13N5O — CID 107589901

IUPAC2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)Nc1cncnc1
InChIInChI=1S/C12H13N5O/c1-2-15-11-10(4-3-5-16-11)12(18)17-9-6-13-8-14-7-9/h3-8H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyDNIYHODMXAETGA-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.56
Rot. Bonds4

About 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide

2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 107589901) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID107589901
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)Nc1cncnc1
InChIInChI=1S/C12H13N5O/c1-2-15-11-10(4-3-5-16-11)12(18)17-9-6-13-8-14-7-9/h3-8H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyDNIYHODMXAETGA-UHFFFAOYSA-N
XLogP1.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
2-(ethylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 55209117
2-(ethylamino)-N-(2-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 62185386
N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 82861112
2-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62166695
2-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 62168328
N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178341
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178330
2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107589970
N-(2-bromo-3-chlorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 103481392
N-(1,3-dimethylpyrazol-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 102807240
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 114957515

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide (CID 107589901) is 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide is CCNc1ncccc1C(=O)Nc1cncnc1.
What is the InChIKey of 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is DNIYHODMXAETGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-15-11-10(4-3-5-16-11)12(18)17-9-6-13-8-14-7-9/h3-8H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide?
2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 107589901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).