[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride

C18H24ClN5O — CID 142680752

IUPAC[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride
SMILESCC(C)Nc1cccnc1N1CCN(C(=O)c2ccccn2)CC1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-14(2)21-15-7-5-9-20-17(15)22-10-12-23(13-11-22)18(24)16-6-3-4-8-19-16;/h3-9,14,21H,10-13H2,1-2H3;1H
InChIKeyJUYWTGYYLWIFNP-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.68
Rot. Bonds4

About [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride

[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride (PubChem CID 142680752) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride
PubChem CID142680752
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride
SMILESCC(C)Nc1cccnc1N1CCN(C(=O)c2ccccn2)CC1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-14(2)21-15-7-5-9-20-17(15)22-10-12-23(13-11-22)18(24)16-6-3-4-8-19-16;/h3-9,14,21H,10-13H2,1-2H3;1H
InChIKeyJUYWTGYYLWIFNP-UHFFFAOYSA-N
XLogP2.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone
CID 142634494
[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 57280065
(4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone
CID 142640730
ethyl 2-[[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]pyridine-3-carbonyl]amino]acetate
CID 142640041
3H-benzo[e]indol-1-yl-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57258489
(5-fluoro-1H-indol-3-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57147611
N-(1-hydroxy-3-methylbutan-2-yl)-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 67670015
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
N-(1-hydroxy-3-phenylpropan-2-yl)-4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 57111700
[6-(hydroxymethyl)-1H-indol-3-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
CID 57316548
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-[4-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]benzoyl]piperidine-4-carboxamide
CID 142637097
N-[3-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]acetamide
CID 57188923

Frequently Asked Questions

What is the IUPAC name of [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride (CID 142680752) is [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride is CC(C)Nc1cccnc1N1CCN(C(=O)c2ccccn2)CC1.Cl.
What is the InChIKey of [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride?
The InChIKey is JUYWTGYYLWIFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.ClH/c1-14(2)21-15-7-5-9-20-17(15)22-10-12-23(13-11-22)18(24)16-6-3-4-8-19-16;/h3-9,14,21H,10-13H2,1-2H3;1H.
What are the key properties of [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride?
[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride has a molecular weight of 361.88 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-pyridin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 142680752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).