N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide

C16H21FN2O — CID 115646013

IUPACN-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C16H21FN2O/c17-15-10-18-9-8-14(15)16(20)19(13-6-7-13)11-12-4-2-1-3-5-12/h8-10,12-13H,1-7,11H2
InChIKeyMXWAUBSOVYATSX-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.41
Rot. Bonds4

About N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide

N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide (PubChem CID 115646013) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
PubChem CID115646013
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C16H21FN2O/c17-15-10-18-9-8-14(15)16(20)19(13-6-7-13)11-12-4-2-1-3-5-12/h8-10,12-13H,1-7,11H2
InChIKeyMXWAUBSOVYATSX-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide (CID 115646013) is N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide is O=C(c1ccncc1F)N(CC1CCCCC1)C1CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide?
The InChIKey is MXWAUBSOVYATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-10-18-9-8-14(15)16(20)19(13-6-7-13)11-12-4-2-1-3-5-12/h8-10,12-13H,1-7,11H2.
What are the key properties of N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide?
N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide has a molecular weight of 276.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).