N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide

C24H30FN5O3 — CID 170006947

IUPACN-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide
SMILESO=C(Nc1ccnc(C(=O)NC2CCCC(C3CCCC3)C2)c1)Nc1cc(F)ncc1CO
InChIInChI=1S/C24H30FN5O3/c25-22-12-20(17(14-31)13-27-22)30-24(33)29-19-8-9-26-21(11-19)23(32)28-18-7-3-6-16(10-18)15-4-1-2-5-15/h8-9,11-13,15-16,18,31H,1-7,10,14H2,(H,28,32)(H2,26,27,29,30,33)
InChIKeyYBNGPEWUAKOARJ-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.23
Rot. Bonds6

About N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide

N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide (PubChem CID 170006947) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide
PubChem CID170006947
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC NameN-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide
SMILESO=C(Nc1ccnc(C(=O)NC2CCCC(C3CCCC3)C2)c1)Nc1cc(F)ncc1CO
InChIInChI=1S/C24H30FN5O3/c25-22-12-20(17(14-31)13-27-22)30-24(33)29-19-8-9-26-21(11-19)23(32)28-18-7-3-6-16(10-18)15-4-1-2-5-15/h8-9,11-13,15-16,18,31H,1-7,10,14H2,(H,28,32)(H2,26,27,29,30,33)
InChIKeyYBNGPEWUAKOARJ-UHFFFAOYSA-N
XLogP4.23
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide
CID 168979718
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211268
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109205065
N-cyclopentyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204033
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide (CID 170006947) is N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide is O=C(Nc1ccnc(C(=O)NC2CCCC(C3CCCC3)C2)c1)Nc1cc(F)ncc1CO.
What is the InChIKey of N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide?
The InChIKey is YBNGPEWUAKOARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3/c25-22-12-20(17(14-31)13-27-22)30-24(33)29-19-8-9-26-21(11-19)23(32)28-18-7-3-6-16(10-18)15-4-1-2-5-15/h8-9,11-13,15-16,18,31H,1-7,10,14H2,(H,28,32)(H2,26,27,29,30,33).
What are the key properties of N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide?
N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylcyclohexyl)-4-[[2-fluoro-5-(hydroxymethyl)-4-pyridinyl]carbamoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 170006947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).