N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide

C20H25N5O — CID 138056951

IUPACN-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nccc(-c3cccnc3)n2)CC1)C1CC1
InChIInChI=1S/C20H25N5O/c1-14(15-4-5-15)23-20(26)25-11-7-16(8-12-25)19-22-10-6-18(24-19)17-3-2-9-21-13-17/h2-3,6,9-10,13-16H,4-5,7-8,11-12H2,1H3,(H,23,26)
InChIKeyAZOTUZHPTRDDSF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.23
Rot. Bonds4

About N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide

N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide (PubChem CID 138056951) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide
PubChem CID138056951
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nccc(-c3cccnc3)n2)CC1)C1CC1
InChIInChI=1S/C20H25N5O/c1-14(15-4-5-15)23-20(26)25-11-7-16(8-12-25)19-22-10-6-18(24-19)17-3-2-9-21-13-17/h2-3,6,9-10,13-16H,4-5,7-8,11-12H2,1H3,(H,23,26)
InChIKeyAZOTUZHPTRDDSF-UHFFFAOYSA-N
XLogP3.23
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
CID 116899139
4-(4-phenylpyrimidin-2-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 46233705
4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154788057
N-[2-[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 167812738
2-N,4-N-bis(1-cyclopropylethyl)-6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 123878608
ethyl 4-[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate
CID 155688953
3-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)butan-2-one
CID 157428636
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
N,N-dimethyl-4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidine-1-carboxamide
CID 97415290
(4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone
CID 67214224
N-[(1S)-1-cyclohexylethyl]-4-(2,4-dihydroxyphenyl)piperidine-1-carboxamide
CID 46215196
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide (CID 138056951) is N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide is CC(NC(=O)N1CCC(c2nccc(-c3cccnc3)n2)CC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide?
The InChIKey is AZOTUZHPTRDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14(15-4-5-15)23-20(26)25-11-7-16(8-12-25)19-22-10-6-18(24-19)17-3-2-9-21-13-17/h2-3,6,9-10,13-16H,4-5,7-8,11-12H2,1H3,(H,23,26).
What are the key properties of N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide?
N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138056951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).