5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide

C26H32N6O2 — CID 89360543

IUPAC5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(NC(C)C)nc1
InChIInChI=1S/C26H32N6O2/c1-15(2)30-23-8-7-20(13-29-23)31-25(34)22-12-21(14-28-16(22)3)32-24(33)17-9-18(26(4,5)6)11-19(27)10-17/h7-15H,27H2,1-6H3,(H,29,30)(H,31,34)(H,32,33)
InChIKeySCRXXXDLHPXHAX-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.99
Rot. Bonds6

About 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide

5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 89360543) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID89360543
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(NC(C)C)nc1
InChIInChI=1S/C26H32N6O2/c1-15(2)30-23-8-7-20(13-29-23)31-25(34)22-12-21(14-28-16(22)3)32-24(33)17-9-18(26(4,5)6)11-19(27)10-17/h7-15H,27H2,1-6H3,(H,29,30)(H,31,34)(H,32,33)
InChIKeySCRXXXDLHPXHAX-UHFFFAOYSA-N
XLogP4.99
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-tert-butyl-1-N-methyl-3-N-[6-methyl-5-[[6-(2-methylpropylamino)-3-pyridinyl]carbamoyl]-3-pyridinyl]benzene-1,3-dicarboxamide
CID 71195573
3-tert-butyl-5-cyano-N-[6-methyl-5-[1-[[6-(2-methylpropylamino)-3-pyridinyl]amino]ethenyl]-3-pyridinyl]benzamide
CID 89360417
5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 69034645
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
N-(4-hydroxyphenyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570460
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
CID 61117590
3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82792233
5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide
CID 69164404
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide (CID 89360543) is 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide is Cc1ncc(NC(=O)c2cc(N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(NC(C)C)nc1.
What is the InChIKey of 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is SCRXXXDLHPXHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-15(2)30-23-8-7-20(13-29-23)31-25(34)22-12-21(14-28-16(22)3)32-24(33)17-9-18(26(4,5)6)11-19(27)10-17/h7-15H,27H2,1-6H3,(H,29,30)(H,31,34)(H,32,33).
What are the key properties of 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide?
5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.99, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-5-tert-butylbenzoyl)amino]-2-methyl-N-[6-(propan-2-ylamino)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 89360543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).