N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

C24H29N5O2 — CID 24791356

IUPACN-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-18(2)31-22-7-5-19(6-8-22)17-28-14-10-21(11-15-28)29-23(9-13-26-29)27-24(30)20-4-3-12-25-16-20/h3-9,12-13,16,18,21H,10-11,14-15,17H2,1-2H3,(H,27,30)
InChIKeyDNXAYAYNTJIGPB-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.15
Rot. Bonds7

About N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 24791356) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID24791356
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C24H29N5O2/c1-18(2)31-22-7-5-19(6-8-22)17-28-14-10-21(11-15-28)29-23(9-13-26-29)27-24(30)20-4-3-12-25-16-20/h3-9,12-13,16,18,21H,10-11,14-15,17H2,1-2H3,(H,27,30)
InChIKeyDNXAYAYNTJIGPB-UHFFFAOYSA-N
XLogP4.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (CID 24791356) is N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is DNXAYAYNTJIGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18(2)31-22-7-5-19(6-8-22)17-28-14-10-21(11-15-28)29-23(9-13-26-29)27-24(30)20-4-3-12-25-16-20/h3-9,12-13,16,18,21H,10-11,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24791356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).