N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide

C30H35FN6O3 — CID 16665377

IUPACN-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(N(C)C2CCCCC2)nc1
InChIInChI=1S/C30H35FN6O3/c1-20-27(30(39)34-23-8-9-28(33-18-23)36(2)25-6-4-3-5-7-25)17-24(19-32-20)35-29(38)21-14-22(31)16-26(15-21)37-10-12-40-13-11-37/h8-9,14-19,25H,3-7,10-13H2,1-2H3,(H,34,39)(H,35,38)
InChIKeyUGHIQVYPEXJTPF-UHFFFAOYSA-N
MW546.65 g/mol
LogP5.03
Rot. Bonds7

About N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide

N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide (PubChem CID 16665377) has the molecular formula C30H35FN6O3 and a molecular weight of 546.65 g/mol. Its IUPAC name is N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
PubChem CID16665377
Molecular FormulaC30H35FN6O3
Molecular Weight546.65 g/mol
Exact Mass546.28
IUPAC NameN-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(N(C)C2CCCCC2)nc1
InChIInChI=1S/C30H35FN6O3/c1-20-27(30(39)34-23-8-9-28(33-18-23)36(2)25-6-4-3-5-7-25)17-24(19-32-20)35-29(38)21-14-22(31)16-26(15-21)37-10-12-40-13-11-37/h8-9,14-19,25H,3-7,10-13H2,1-2H3,(H,34,39)(H,35,38)
InChIKeyUGHIQVYPEXJTPF-UHFFFAOYSA-N
XLogP5.03
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
CID 16666005
N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
CID 16665838
5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 69088455
5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 69034645
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
CID 91479903
N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide
CID 69461070
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946
3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937575
3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide
CID 143497671
N-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-fluoro-5-morpholin-4-ylbenzamide
CID 86759591
3-fluoro-N-[4-methyl-3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-morpholin-4-ylbenzamide
CID 22594080

Frequently Asked Questions

What is the IUPAC name of N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide (CID 16665377) is N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide is Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(N(C)C2CCCCC2)nc1.
What is the InChIKey of N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide?
The InChIKey is UGHIQVYPEXJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O3/c1-20-27(30(39)34-23-8-9-28(33-18-23)36(2)25-6-4-3-5-7-25)17-24(19-32-20)35-29(38)21-14-22(31)16-26(15-21)37-10-12-40-13-11-37/h8-9,14-19,25H,3-7,10-13H2,1-2H3,(H,34,39)(H,35,38).
What are the key properties of N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide?
N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide has a molecular weight of 546.65 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 16665377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).