6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C14H17N5O — CID 109338279

IUPAC6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2ccncc2)ncn1
InChIInChI=1S/C14H17N5O/c1-2-5-16-13-8-12(18-10-19-13)14(20)17-9-11-3-6-15-7-4-11/h3-4,6-8,10H,2,5,9H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyKKHTZUDORHDKMV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds6

About 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109338279) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109338279
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2ccncc2)ncn1
InChIInChI=1S/C14H17N5O/c1-2-5-16-13-8-12(18-10-19-13)14(20)17-9-11-3-6-15-7-4-11/h3-4,6-8,10H,2,5,9H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyKKHTZUDORHDKMV-UHFFFAOYSA-N
XLogP1.62
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
6-(butylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109339838
6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348017
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate
CID 69159261
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338316
5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109272569
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109338279) is 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)NCc2ccncc2)ncn1.
What is the InChIKey of 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is KKHTZUDORHDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-5-16-13-8-12(18-10-19-13)14(20)17-9-11-3-6-15-7-4-11/h3-4,6-8,10H,2,5,9H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).