1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide

C20H28ClN5O — CID 99817294

IUPAC1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H28ClN5O/c1-13(11-18-14(2)24-25(4)15(18)3)23-20(27)16-7-9-26(10-8-16)19-6-5-17(21)12-22-19/h5-6,12-13,16H,7-11H2,1-4H3,(H,23,27)/t13-/m0/s1
InChIKeyVHYQAXPPPVOLMC-ZDUSSCGKSA-N
MW389.93 g/mol
LogP3.05
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 99817294) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide
PubChem CID99817294
Molecular FormulaC20H28ClN5O
Molecular Weight389.93 g/mol
Exact Mass389.20
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H28ClN5O/c1-13(11-18-14(2)24-25(4)15(18)3)23-20(27)16-7-9-26(10-8-16)19-6-5-17(21)12-22-19/h5-6,12-13,16H,7-11H2,1-4H3,(H,23,27)/t13-/m0/s1
InChIKeyVHYQAXPPPVOLMC-ZDUSSCGKSA-N
XLogP3.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide (CID 99817294) is 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide is Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is VHYQAXPPPVOLMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H28ClN5O/c1-13(11-18-14(2)24-25(4)15(18)3)23-20(27)16-7-9-26(10-8-16)19-6-5-17(21)12-22-19/h5-6,12-13,16H,7-11H2,1-4H3,(H,23,27)/t13-/m0/s1.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 389.93 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 99817294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).