N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide

C33H40N6O5 — CID 177031489

IUPACN-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(C(C)(C)C)c2)c(NC(=O)c2c(OC)ccnc2NC23CC(N4CCOCC4)(C2)C3)cn1
InChIInChI=1S/C33H40N6O5/c1-31(2,3)21-7-6-8-22(15-21)36-29(40)23-16-26(43-5)35-17-24(23)37-30(41)27-25(42-4)9-10-34-28(27)38-32-18-33(19-32,20-32)39-11-13-44-14-12-39/h6-10,15-17H,11-14,18-20H2,1-5H3,(H,34,38)(H,36,40)(H,37,41)
InChIKeyBGUCEARPWDOWHZ-UHFFFAOYSA-N
MW600.72 g/mol
LogP4.72
Rot. Bonds9

About N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide

N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide (PubChem CID 177031489) has the molecular formula C33H40N6O5 and a molecular weight of 600.72 g/mol. Its IUPAC name is N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide
PubChem CID177031489
Molecular FormulaC33H40N6O5
Molecular Weight600.72 g/mol
Exact Mass600.31
IUPAC NameN-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(C(C)(C)C)c2)c(NC(=O)c2c(OC)ccnc2NC23CC(N4CCOCC4)(C2)C3)cn1
InChIInChI=1S/C33H40N6O5/c1-31(2,3)21-7-6-8-22(15-21)36-29(40)23-16-26(43-5)35-17-24(23)37-30(41)27-25(42-4)9-10-34-28(27)38-32-18-33(19-32,20-32)39-11-13-44-14-12-39/h6-10,15-17H,11-14,18-20H2,1-5H3,(H,34,38)(H,36,40)(H,37,41)
InChIKeyBGUCEARPWDOWHZ-UHFFFAOYSA-N
XLogP4.72
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.72
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[6-methoxy-4-[[3-(trifluoromethylsulfonyl)phenyl]carbamoyl]-3-pyridinyl]-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide
CID 177031504
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl]-4-(2,2-difluoroethoxy)-6-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyrimidine-5-carboxamide
CID 177031629
2-amino-N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxypyridine-3-carboxamide
CID 177031583
N-(3-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277688
2-amino-N-[2,2-difluoro-6-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]-1,3-benzodioxol-5-yl]-4-methoxypyridine-3-carboxamide;cyclohexane;methyl formate
CID 178008816
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119419635
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066
N-(3-tert-butylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143361
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylpropanamide
CID 110446322
N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249419

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide (CID 177031489) is N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide is COc1cc(C(=O)Nc2cccc(C(C)(C)C)c2)c(NC(=O)c2c(OC)ccnc2NC23CC(N4CCOCC4)(C2)C3)cn1.
What is the InChIKey of N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide?
The InChIKey is BGUCEARPWDOWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O5/c1-31(2,3)21-7-6-8-22(15-21)36-29(40)23-16-26(43-5)35-17-24(23)37-30(41)27-25(42-4)9-10-34-28(27)38-32-18-33(19-32,20-32)39-11-13-44-14-12-39/h6-10,15-17H,11-14,18-20H2,1-5H3,(H,34,38)(H,36,40)(H,37,41).
What are the key properties of N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide?
N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide has a molecular weight of 600.72 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-tert-butylphenyl)carbamoyl]-6-methoxy-3-pyridinyl]-4-methoxy-2-[(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 177031489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).