2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide

C16H20N4O2 — CID 119067728

IUPAC2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)NCCCOc2cccnc2)n1
InChIInChI=1S/C16H20N4O2/c1-12(2)15-18-9-6-14(20-15)16(21)19-8-4-10-22-13-5-3-7-17-11-13/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,19,21)
InChIKeyVVJMXUJPGGZPIL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.19
Rot. Bonds7

About 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide

2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide (PubChem CID 119067728) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
PubChem CID119067728
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)NCCCOc2cccnc2)n1
InChIInChI=1S/C16H20N4O2/c1-12(2)15-18-9-6-14(20-15)16(21)19-8-4-10-22-13-5-3-7-17-11-13/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,19,21)
InChIKeyVVJMXUJPGGZPIL-UHFFFAOYSA-N
XLogP2.19
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315
1-methyl-5-oxo-N-(3-pyridin-3-yloxypropyl)-4H-1,2,4-triazole-3-carboxamide
CID 156584225
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine
CID 18433344
1-[(2-methylphenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42533380
1-cyclohexyl-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42197797
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42291201
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111840193
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide (CID 119067728) is 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)NCCCOc2cccnc2)n1.
What is the InChIKey of 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide?
The InChIKey is VVJMXUJPGGZPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(2)15-18-9-6-14(20-15)16(21)19-8-4-10-22-13-5-3-7-17-11-13/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,19,21).
What are the key properties of 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide?
2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 119067728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).