N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C28H30FN5O2 — CID 67267282

IUPACN-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCN(CC1CC1)C(=O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1
InChIInChI=1S/C28H30FN5O2/c1-33(18-19-5-6-19)28(36)22-8-10-26(31-17-22)34-13-11-24(12-14-34)32-27(35)21-7-9-25(30-16-21)20-3-2-4-23(29)15-20/h2-4,7-10,15-17,19,24H,5-6,11-14,18H2,1H3,(H,32,35)
InChIKeyJUGZLLKREDIZIV-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.16
Rot. Bonds7

About N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67267282) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67267282
Molecular FormulaC28H30FN5O2
Molecular Weight487.58 g/mol
Exact Mass487.24
IUPAC NameN-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCN(CC1CC1)C(=O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1
InChIInChI=1S/C28H30FN5O2/c1-33(18-19-5-6-19)28(36)22-8-10-26(31-17-22)34-13-11-24(12-14-34)32-27(35)21-7-9-25(30-16-21)20-3-2-4-23(29)15-20/h2-4,7-10,15-17,19,24H,5-6,11-14,18H2,1H3,(H,32,35)
InChIKeyJUGZLLKREDIZIV-UHFFFAOYSA-N
XLogP4.16
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluorophenyl)-N-[1-[5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24991043
6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268045
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
6-(3-fluorophenyl)-N-[1-[1-(1-methylcyclopropyl)propan-2-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267505
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 67268203
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
tert-butyl N-[4-[[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 91011267
N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268177
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268244
N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268195
3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67070085

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67267282) is N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is CN(CC1CC1)C(=O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1.
What is the InChIKey of N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is JUGZLLKREDIZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-33(18-19-5-6-19)28(36)22-8-10-26(31-17-22)34-13-11-24(12-14-34)32-27(35)21-7-9-25(30-16-21)20-3-2-4-23(29)15-20/h2-4,7-10,15-17,19,24H,5-6,11-14,18H2,1H3,(H,32,35).
What are the key properties of N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67267282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).