2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C14H15N5O — CID 109247885

IUPAC2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C14H15N5O/c1-2-5-16-14-18-9-12(10-19-14)13(20)17-8-11-3-6-15-7-4-11/h2-4,6-7,9-10H,1,5,8H2,(H,17,20)(H,16,18,19)
InChIKeyFQQQJLYGPZPSFW-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.40
Rot. Bonds6

About 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109247885) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109247885
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C14H15N5O/c1-2-5-16-14-18-9-12(10-19-14)13(20)17-8-11-3-6-15-7-4-11/h2-4,6-7,9-10H,1,5,8H2,(H,17,20)(H,16,18,19)
InChIKeyFQQQJLYGPZPSFW-UHFFFAOYSA-N
XLogP1.40
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259114
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259160
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
N-(pyridin-4-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249408
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259214

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 109247885) is 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is C=CCNc1ncc(C(=O)NCc2ccncc2)cn1.
What is the InChIKey of 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is FQQQJLYGPZPSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-5-16-14-18-9-12(10-19-14)13(20)17-8-11-3-6-15-7-4-11/h2-4,6-7,9-10H,1,5,8H2,(H,17,20)(H,16,18,19).
What are the key properties of 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).