1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone

C19H21ClN4O2 — CID 109209018

IUPAC1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-14(25)23-8-10-24(11-9-23)19(26)18-12-17(6-7-21-18)22-13-15-2-4-16(20)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,21,22)
InChIKeyHQTHUDNSVVFUGD-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.65
Rot. Bonds4

About 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109209018) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109209018
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-14(25)23-8-10-24(11-9-23)19(26)18-12-17(6-7-21-18)22-13-15-2-4-16(20)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,21,22)
InChIKeyHQTHUDNSVVFUGD-UHFFFAOYSA-N
XLogP2.65
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209092
1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231029
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062
(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109208075
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109209018) is 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)CC1.
What is the InChIKey of 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is HQTHUDNSVVFUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-14(25)23-8-10-24(11-9-23)19(26)18-12-17(6-7-21-18)22-13-15-2-4-16(20)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,21,22).
What are the key properties of 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 372.86 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109209018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).