N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide

C38H39N5O2 — CID 142774506

IUPACN-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cccnc2)c(NCc2ccnc(OC3CN(C(c4ccccc4)c4ccccc4)C3)c2)c1
InChIInChI=1S/C38H39N5O2/c1-38(2,3)31-16-17-33(42-37(44)30-15-10-19-39-24-30)34(22-31)41-23-27-18-20-40-35(21-27)45-32-25-43(26-32)36(28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-22,24,32,36,41H,23,25-26H2,1-3H3,(H,42,44)
InChIKeyFTDROGILAPXFEY-UHFFFAOYSA-N
MW597.76 g/mol
LogP7.49
Rot. Bonds10

About N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide

N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide (PubChem CID 142774506) has the molecular formula C38H39N5O2 and a molecular weight of 597.76 g/mol. Its IUPAC name is N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide
PubChem CID142774506
Molecular FormulaC38H39N5O2
Molecular Weight597.76 g/mol
Exact Mass597.31
IUPAC NameN-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cccnc2)c(NCc2ccnc(OC3CN(C(c4ccccc4)c4ccccc4)C3)c2)c1
InChIInChI=1S/C38H39N5O2/c1-38(2,3)31-16-17-33(42-37(44)30-15-10-19-39-24-30)34(22-31)41-23-27-18-20-40-35(21-27)45-32-25-43(26-32)36(28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-22,24,32,36,41H,23,25-26H2,1-3H3,(H,42,44)
InChIKeyFTDROGILAPXFEY-UHFFFAOYSA-N
XLogP7.49
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
5-(1-benzhydrylazetidin-3-yl)oxycarbonylpyridine-3-carboxylic acid
CID 141173413
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86981506
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55659133
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925379
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
3-[[[2-(oxan-4-yloxy)-4-pyridinyl]methylamino]methyl]benzoic acid
CID 122031287

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide (CID 142774506) is N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cccnc2)c(NCc2ccnc(OC3CN(C(c4ccccc4)c4ccccc4)C3)c2)c1.
What is the InChIKey of N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide?
The InChIKey is FTDROGILAPXFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N5O2/c1-38(2,3)31-16-17-33(42-37(44)30-15-10-19-39-24-30)34(22-31)41-23-27-18-20-40-35(21-27)45-32-25-43(26-32)36(28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-22,24,32,36,41H,23,25-26H2,1-3H3,(H,42,44).
What are the key properties of N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide?
N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide has a molecular weight of 597.76 g/mol, XLogP of 7.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1-benzhydrylazetidin-3-yl)oxy-4-pyridinyl]methylamino]-4-tert-butylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 142774506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).