N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

C19H22ClN5O2 — CID 53368538

IUPACN-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN5O2/c1-14(18(26)23-16-7-3-2-6-15(16)20)22-19(27)25-12-10-24(11-13-25)17-8-4-5-9-21-17/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyLHIOOFFDTMSLMG-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.59
Rot. Bonds4

About N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 53368538) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID53368538
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC NameN-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN5O2/c1-14(18(26)23-16-7-3-2-6-15(16)20)22-19(27)25-12-10-24(11-13-25)17-8-4-5-9-21-17/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyLHIOOFFDTMSLMG-UHFFFAOYSA-N
XLogP2.59
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96564094
N-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71691785
N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 171138978
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53369623
N-[1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368744
N-[(2S)-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 52901177
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-[(2R)-1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 95395075
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
N-(2-chlorophenyl)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508111

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 53368538) is N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is LHIOOFFDTMSLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-14(18(26)23-16-7-3-2-6-15(16)20)22-19(27)25-12-10-24(11-13-25)17-8-4-5-9-21-17/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 53368538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).