6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide

C26H35N5O4 — CID 3762431

IUPAC6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
SMILESCCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)CNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H35N5O4/c1-3-16-35-17-13-27-25(33)22-10-9-19(2)29-24(22)20-11-14-31(15-12-20)23(32)18-28-26(34)30-21-7-5-4-6-8-21/h4-10,20H,3,11-18H2,1-2H3,(H,27,33)(H2,28,30,34)
InChIKeyKXCJEXTWYOIKMW-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.07
Rot. Bonds10

About 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide

6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide (PubChem CID 3762431) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
PubChem CID3762431
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
SMILESCCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)CNC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H35N5O4/c1-3-16-35-17-13-27-25(33)22-10-9-19(2)29-24(22)20-11-14-31(15-12-20)23(32)18-28-26(34)30-21-7-5-4-6-8-21/h4-10,20H,3,11-18H2,1-2H3,(H,27,33)(H2,28,30,34)
InChIKeyKXCJEXTWYOIKMW-UHFFFAOYSA-N
XLogP3.07
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3760709
ethyl 4-[6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 5156642
6-methyl-2-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3852421
6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3761621
2-[1-[(2-ethoxyphenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3836869
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3267670
2-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 5183446
2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3864511
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867402
2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42852218
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide (CID 3762431) is 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide is CCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)CNC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide?
The InChIKey is KXCJEXTWYOIKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-3-16-35-17-13-27-25(33)22-10-9-19(2)29-24(22)20-11-14-31(15-12-20)23(32)18-28-26(34)30-21-7-5-4-6-8-21/h4-10,20H,3,11-18H2,1-2H3,(H,27,33)(H2,28,30,34).
What are the key properties of 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide?
6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.07, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3762431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).