6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide

C20H26N4O2 — CID 133486045

IUPAC6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(C[C@@H](C)O)CC3)nc2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-3-6-18(7-4-15)22-20(26)17-5-8-19(21-13-17)24-11-9-23(10-12-24)14-16(2)25/h3-8,13,16,25H,9-12,14H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyCWCDESHIFMZVNC-MRXNPFEDSA-N
MW354.45 g/mol
LogP2.15
Rot. Bonds5

About 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133486045) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133486045
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(C[C@@H](C)O)CC3)nc2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-3-6-18(7-4-15)22-20(26)17-5-8-19(21-13-17)24-11-9-23(10-12-24)14-16(2)25/h3-8,13,16,25H,9-12,14H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyCWCDESHIFMZVNC-MRXNPFEDSA-N
XLogP2.15
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133453663
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342811
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
2-fluoro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857888
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide
CID 44527531
6-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133383387
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
(E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
CID 42850310
4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133486045) is 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCN(C[C@@H](C)O)CC3)nc2)cc1.
What is the InChIKey of 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is CWCDESHIFMZVNC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-3-6-18(7-4-15)22-20(26)17-5-8-19(21-13-17)24-11-9-23(10-12-24)14-16(2)25/h3-8,13,16,25H,9-12,14H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133486045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).