3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide

C22H24ClN5O — CID 10549489

IUPAC3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccc(-n3cccn3)n2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H24ClN5O/c23-19-5-1-4-18(14-19)22(29)24-15-17-8-12-27(13-9-17)16-20-6-2-7-21(26-20)28-11-3-10-25-28/h1-7,10-11,14,17H,8-9,12-13,15-16H2,(H,24,29)
InChIKeyHMXXUZGCGZJBKC-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.56
Rot. Bonds6

About 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide

3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide (PubChem CID 10549489) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide
PubChem CID10549489
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccc(-n3cccn3)n2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H24ClN5O/c23-19-5-1-4-18(14-19)22(29)24-15-17-8-12-27(13-9-17)16-20-6-2-7-21(26-20)28-11-3-10-25-28/h1-7,10-11,14,17H,8-9,12-13,15-16H2,(H,24,29)
InChIKeyHMXXUZGCGZJBKC-UHFFFAOYSA-N
XLogP3.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide (CID 10549489) is 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(Cc2cccc(-n3cccn3)n2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is HMXXUZGCGZJBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c23-19-5-1-4-18(14-19)22(29)24-15-17-8-12-27(13-9-17)16-20-6-2-7-21(26-20)28-11-3-10-25-28/h1-7,10-11,14,17H,8-9,12-13,15-16H2,(H,24,29).
What are the key properties of 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide?
3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 409.92 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 10549489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).