(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide

C19H26N6O2 — CID 95717599

IUPAC(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
SMILESCc1nn(CC(=O)N2CCNC[C@@H]2C(=O)NCc2ccccn2)c(C)c1C
InChIInChI=1S/C19H26N6O2/c1-13-14(2)23-25(15(13)3)12-18(26)24-9-8-20-11-17(24)19(27)22-10-16-6-4-5-7-21-16/h4-7,17,20H,8-12H2,1-3H3,(H,22,27)/t17-/m1/s1
InChIKeyKWNFQIYFBPSQAY-QGZVFWFLSA-N
MW370.46 g/mol
LogP0.32
Rot. Bonds5

About (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide

(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide (PubChem CID 95717599) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
PubChem CID95717599
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
SMILESCc1nn(CC(=O)N2CCNC[C@@H]2C(=O)NCc2ccccn2)c(C)c1C
InChIInChI=1S/C19H26N6O2/c1-13-14(2)23-25(15(13)3)12-18(26)24-9-8-20-11-17(24)19(27)22-10-16-6-4-5-7-21-16/h4-7,17,20H,8-12H2,1-3H3,(H,22,27)/t17-/m1/s1
InChIKeyKWNFQIYFBPSQAY-QGZVFWFLSA-N
XLogP0.32
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide with MolForge

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Related Compounds

1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56884685
1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56885089
(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95717707
3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 74241317
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474
(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 53300637
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95727694
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56894686
(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95724791

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide (CID 95717599) is (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide is Cc1nn(CC(=O)N2CCNC[C@@H]2C(=O)NCc2ccccn2)c(C)c1C.
What is the InChIKey of (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide?
The InChIKey is KWNFQIYFBPSQAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-14(2)23-25(15(13)3)12-18(26)24-9-8-20-11-17(24)19(27)22-10-16-6-4-5-7-21-16/h4-7,17,20H,8-12H2,1-3H3,(H,22,27)/t17-/m1/s1.
What are the key properties of (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide?
(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 95717599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).