1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide

C19H25N5O2 — CID 123959112

IUPAC1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(Nc2nccc(N3CCCC(C(N)=O)C3)n2)c1
InChIInChI=1S/C19H25N5O2/c1-13(2)26-16-7-3-6-15(11-16)22-19-21-9-8-17(23-19)24-10-4-5-14(12-24)18(20)25/h3,6-9,11,13-14H,4-5,10,12H2,1-2H3,(H2,20,25)(H,21,22,23)
InChIKeyVEVLKHNKUMCGKP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.71
Rot. Bonds6

About 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide

1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 123959112) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID123959112
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCC(C)Oc1cccc(Nc2nccc(N3CCCC(C(N)=O)C3)n2)c1
InChIInChI=1S/C19H25N5O2/c1-13(2)26-16-7-3-6-15(11-16)22-19-21-9-8-17(23-19)24-10-4-5-14(12-24)18(20)25/h3,6-9,11,13-14H,4-5,10,12H2,1-2H3,(H2,20,25)(H,21,22,23)
InChIKeyVEVLKHNKUMCGKP-UHFFFAOYSA-N
XLogP2.71
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 112883935
N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 112884566
methyl 3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112901585
(3S)-1-[2-(3-chloroanilino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 57326601
N-(2-propan-2-yloxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883925
(3S)-1-[6-(3-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975943
1-(6-hydrazinyl-2-pyridinyl)piperidine-3-carboxamide
CID 80918435
N-[(3-methylphenyl)methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 76511394
1-[5-[2-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]pyrimidin-4-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 68987479
(3S)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53495177
N-[(4-phenylphenyl)methyl]-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 76510733
1-[5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]piperidine-3-carboxamide
CID 10119941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide (CID 123959112) is 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide is CC(C)Oc1cccc(Nc2nccc(N3CCCC(C(N)=O)C3)n2)c1.
What is the InChIKey of 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is VEVLKHNKUMCGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(2)26-16-7-3-6-15(11-16)22-19-21-9-8-17(23-19)24-10-4-5-14(12-24)18(20)25/h3,6-9,11,13-14H,4-5,10,12H2,1-2H3,(H2,20,25)(H,21,22,23).
What are the key properties of 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide?
1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 123959112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).