N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C20H24ClN5O — CID 53170437

IUPACN-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C20H24ClN5O/c21-16-4-3-5-17(12-16)24-20(27)15-6-10-26(11-7-15)19-13-18(22-14-23-19)25-8-1-2-9-25/h3-5,12-15H,1-2,6-11H2,(H,24,27)
InChIKeyYWAIMPPOIYMNCV-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.59
Rot. Bonds4

About N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53170437) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53170437
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC NameN-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C20H24ClN5O/c21-16-4-3-5-17(12-16)24-20(27)15-6-10-26(11-7-15)19-13-18(22-14-23-19)25-8-1-2-9-25/h3-5,12-15H,1-2,6-11H2,(H,24,27)
InChIKeyYWAIMPPOIYMNCV-UHFFFAOYSA-N
XLogP3.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062148
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46375111
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170453
N-(3,5-dimethoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170427
N-(4-chlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520063
N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099012
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
methyl 4-[[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53170457
N-(3-fluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600324
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 53170437) is N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(c2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is YWAIMPPOIYMNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-16-4-3-5-17(12-16)24-20(27)15-6-10-26(11-7-15)19-13-18(22-14-23-19)25-8-1-2-9-25/h3-5,12-15H,1-2,6-11H2,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53170437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).