N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide

C26H35N5O2 — CID 139634554

IUPACN-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCC(C(=O)NCCN2CCN(c3ccccc3)CC2)CC1)c1ccncc1
InChIInChI=1S/C26H35N5O2/c32-25(28-14-15-30-16-18-31(19-17-30)24-4-2-1-3-5-24)22-8-6-21(7-9-22)20-29-26(33)23-10-12-27-13-11-23/h1-5,10-13,21-22H,6-9,14-20H2,(H,28,32)(H,29,33)
InChIKeyJKVDRZQGEVVTCG-UHFFFAOYSA-N
MW449.60 g/mol
LogP2.56
Rot. Bonds8

About N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide

N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide (PubChem CID 139634554) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
PubChem CID139634554
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCC(C(=O)NCCN2CCN(c3ccccc3)CC2)CC1)c1ccncc1
InChIInChI=1S/C26H35N5O2/c32-25(28-14-15-30-16-18-31(19-17-30)24-4-2-1-3-5-24)22-8-6-21(7-9-22)20-29-26(33)23-10-12-27-13-11-23/h1-5,10-13,21-22H,6-9,14-20H2,(H,28,32)(H,29,33)
InChIKeyJKVDRZQGEVVTCG-UHFFFAOYSA-N
XLogP2.56
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethoxy-N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]benzamide
CID 139634551
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
CID 139634561
N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide
CID 47055371
3-amino-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119901932
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 51940146
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide (CID 139634554) is N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide is O=C(NCC1CCC(C(=O)NCCN2CCN(c3ccccc3)CC2)CC1)c1ccncc1.
What is the InChIKey of N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide?
The InChIKey is JKVDRZQGEVVTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c32-25(28-14-15-30-16-18-31(19-17-30)24-4-2-1-3-5-24)22-8-6-21(7-9-22)20-29-26(33)23-10-12-27-13-11-23/h1-5,10-13,21-22H,6-9,14-20H2,(H,28,32)(H,29,33).
What are the key properties of N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide?
N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 139634554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).