(3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide

C18H24N6O — CID 100686586

IUPAC(3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESC=Cn1cc(CNCc2cccnc2N2CCC[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C18H24N6O/c1-2-24-12-14(10-22-24)9-20-11-15-5-3-7-21-18(15)23-8-4-6-16(13-23)17(19)25/h2-3,5,7,10,12,16,20H,1,4,6,8-9,11,13H2,(H2,19,25)/t16-/m0/s1
InChIKeyICYZATPCELBBSC-INIZCTEOSA-N
MW340.43 g/mol
LogP1.37
Rot. Bonds7

About (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide

(3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 100686586) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID100686586
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESC=Cn1cc(CNCc2cccnc2N2CCC[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C18H24N6O/c1-2-24-12-14(10-22-24)9-20-11-15-5-3-7-21-18(15)23-8-4-6-16(13-23)17(19)25/h2-3,5,7,10,12,16,20H,1,4,6,8-9,11,13H2,(H2,19,25)/t16-/m0/s1
InChIKeyICYZATPCELBBSC-INIZCTEOSA-N
XLogP1.37
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 166217241
1-[3-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111226091
1-[3-[[[N-methyl-C-(3-pentan-3-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111744069
1-[3-[[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111180081
1-[3-[[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 110945604
1-[3-[[[N'-methyl-N-[(1-phenylcyclobutyl)methyl]carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111855182
1-[3-[[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111172434
1-[3-[[(2-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 56827310
1-[3-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111891233
1-[3-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111183123
1-[3-[[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111957361
1-[3-[[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111191986

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide (CID 100686586) is (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide is C=Cn1cc(CNCc2cccnc2N2CCC[C@H](C(N)=O)C2)cn1.
What is the InChIKey of (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ICYZATPCELBBSC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-2-24-12-14(10-22-24)9-20-11-15-5-3-7-21-18(15)23-8-4-6-16(13-23)17(19)25/h2-3,5,7,10,12,16,20H,1,4,6,8-9,11,13H2,(H2,19,25)/t16-/m0/s1.
What are the key properties of (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide?
(3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 100686586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).