2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide

C14H17N5O — CID 107589984

IUPAC2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cncnc2)cc(C(C)C)n1
InChIInChI=1S/C14H17N5O/c1-9(2)12-4-10(5-13(15-3)19-12)14(20)18-11-6-16-8-17-7-11/h4-9H,1-3H3,(H,15,19)(H,18,20)
InChIKeyPHZUBVZOQOVZMR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.29
Rot. Bonds4

About 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide

2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide (PubChem CID 107589984) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide
PubChem CID107589984
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cncnc2)cc(C(C)C)n1
InChIInChI=1S/C14H17N5O/c1-9(2)12-4-10(5-13(15-3)19-12)14(20)18-11-6-16-8-17-7-11/h4-9H,1-3H3,(H,15,19)(H,18,20)
InChIKeyPHZUBVZOQOVZMR-UHFFFAOYSA-N
XLogP2.29
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(5-methyl-3-pyridinyl)-6-propan-2-ylpyridine-4-carboxamide
CID 107586660
2-(methylamino)-6-propan-2-yl-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114914188
2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide
CID 107590035
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
N-pyrimidin-5-ylbenzamide
CID 68971843
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-hydrazinyl-6-propan-2-yl-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 114389598
4-hydroxy-N-pyrimidin-5-ylbenzamide
CID 104862675
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824
3-iodo-N-pyrimidin-5-ylbenzamide
CID 104856856

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide (CID 107589984) is 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide is CNc1cc(C(=O)Nc2cncnc2)cc(C(C)C)n1.
What is the InChIKey of 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide?
The InChIKey is PHZUBVZOQOVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(2)12-4-10(5-13(15-3)19-12)14(20)18-11-6-16-8-17-7-11/h4-9H,1-3H3,(H,15,19)(H,18,20).
What are the key properties of 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide?
2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-propan-2-yl-N-pyrimidin-5-ylpyridine-4-carboxamide is sourced from PubChem (CID 107589984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).