N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide

C32H37N7O3 — CID 58728943

IUPACN-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cn2)cccc1-c1cn(C)c(=O)c(Nc2ccc(N3CCOCC3)c(N)c2)n1
InChIInChI=1S/C32H37N7O3/c1-20-23(7-6-8-25(20)37-30(40)26-11-9-21(18-34-26)32(2,3)4)27-19-38(5)31(41)29(36-27)35-22-10-12-28(24(33)17-22)39-13-15-42-16-14-39/h6-12,17-19H,13-16,33H2,1-5H3,(H,35,36)(H,37,40)
InChIKeyHINVZSDIVZMNAT-UHFFFAOYSA-N
MW567.69 g/mol
LogP4.86
Rot. Bonds6

About N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide

N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide (PubChem CID 58728943) has the molecular formula C32H37N7O3 and a molecular weight of 567.69 g/mol. Its IUPAC name is N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide
PubChem CID58728943
Molecular FormulaC32H37N7O3
Molecular Weight567.69 g/mol
Exact Mass567.30
IUPAC NameN-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cn2)cccc1-c1cn(C)c(=O)c(Nc2ccc(N3CCOCC3)c(N)c2)n1
InChIInChI=1S/C32H37N7O3/c1-20-23(7-6-8-25(20)37-30(40)26-11-9-21(18-34-26)32(2,3)4)27-19-38(5)31(41)29(36-27)35-22-10-12-28(24(33)17-22)39-13-15-42-16-14-39/h6-12,17-19H,13-16,33H2,1-5H3,(H,35,36)(H,37,40)
InChIKeyHINVZSDIVZMNAT-UHFFFAOYSA-N
XLogP4.86
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.69
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-piperidin-1-ylbenzamide
CID 58729004
3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylbenzamide
CID 68605505
N-[3-[6-[3-amino-4-(3-hydroxypyrrolidin-1-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 58728914
N-[3-[6-[3-amino-4-[(cyclopropylamino)methyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 58729133
4-tert-butyl-N-[3-[6-[3-fluoro-4-(morpholin-4-ylmethyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 66894885
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(1,4-oxazepane-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895059
4-(2-hydroxypropan-2-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 11851477
N-[3-[6-[3-amino-4-(thiomorpholine-4-carbonyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 66895364
6-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]pyridine-3-carboxamide
CID 11852095
N-[3-[6-[4-(4-aminopiperidin-1-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 58729094
4-[[6-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]-2-hydroxybenzoic acid
CID 58728966
2-amino-4-[[6-[3-[1-(4-tert-butylphenyl)ethenylamino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]benzamide
CID 143293267

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide?
The IUPAC name of N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide (CID 58728943) is N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cn2)cccc1-c1cn(C)c(=O)c(Nc2ccc(N3CCOCC3)c(N)c2)n1.
What is the InChIKey of N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide?
The InChIKey is HINVZSDIVZMNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O3/c1-20-23(7-6-8-25(20)37-30(40)26-11-9-21(18-34-26)32(2,3)4)27-19-38(5)31(41)29(36-27)35-22-10-12-28(24(33)17-22)39-13-15-42-16-14-39/h6-12,17-19H,13-16,33H2,1-5H3,(H,35,36)(H,37,40).
What are the key properties of N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide?
N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3-amino-4-morpholin-4-ylanilino)-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-5-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 58728943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).