[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C17H22ClN5O — CID 138999240

IUPAC[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCn1cc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)cn1
InChIInChI=1S/C17H22ClN5O/c1-2-23-12-13(10-21-23)9-19-16-15(18)8-14(11-20-16)17(24)22-6-4-3-5-7-22/h8,10-12H,2-7,9H2,1H3,(H,19,20)
InChIKeyFSZMXQFTDMFABX-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.19
Rot. Bonds5

About [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 138999240) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID138999240
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCn1cc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)cn1
InChIInChI=1S/C17H22ClN5O/c1-2-23-12-13(10-21-23)9-19-16-15(18)8-14(11-20-16)17(24)22-6-4-3-5-7-22/h8,10-12H,2-7,9H2,1H3,(H,19,20)
InChIKeyFSZMXQFTDMFABX-UHFFFAOYSA-N
XLogP3.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
CID 133271009
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271056
[5-chloro-6-[(5-chloro-2-methoxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271011
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 138999240) is [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is CCn1cc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is FSZMXQFTDMFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-2-23-12-13(10-21-23)9-19-16-15(18)8-14(11-20-16)17(24)22-6-4-3-5-7-22/h8,10-12H,2-7,9H2,1H3,(H,19,20).
What are the key properties of [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 347.85 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 138999240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).