N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide

C24H24N8O — CID 91531210

IUPACN-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(N(c3cc(NC4CC4)ncn3)c3ncc[nH]3)c2)cn1
InChIInChI=1S/C24H24N8O/c1-15-3-6-19(31-23(33)17-5-4-16(2)27-13-17)11-20(15)32(24-25-9-10-26-24)22-12-21(28-14-29-22)30-18-7-8-18/h3-6,9-14,18H,7-8H2,1-2H3,(H,25,26)(H,31,33)(H,28,29,30)
InChIKeyBZIAUOYRXGWSEG-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.51
Rot. Bonds7

About N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide

N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide (PubChem CID 91531210) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide
PubChem CID91531210
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC NameN-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(N(c3cc(NC4CC4)ncn3)c3ncc[nH]3)c2)cn1
InChIInChI=1S/C24H24N8O/c1-15-3-6-19(31-23(33)17-5-4-16(2)27-13-17)11-20(15)32(24-25-9-10-26-24)22-12-21(28-14-29-22)30-18-7-8-18/h3-6,9-14,18H,7-8H2,1-2H3,(H,25,26)(H,31,33)(H,28,29,30)
InChIKeyBZIAUOYRXGWSEG-UHFFFAOYSA-N
XLogP4.51
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)benzamide
CID 91221049
N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90942842
N-(1H-imidazol-2-yl)-6-methylpyridine-3-carboxamide
CID 60968795
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
6-(cyclopropylamino)-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84570944
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952
1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112854815
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylpyridine-3-carboxamide
CID 18154829

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide (CID 91531210) is N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(C)c(N(c3cc(NC4CC4)ncn3)c3ncc[nH]3)c2)cn1.
What is the InChIKey of N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is BZIAUOYRXGWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-15-3-6-19(31-23(33)17-5-4-16(2)27-13-17)11-20(15)32(24-25-9-10-26-24)22-12-21(28-14-29-22)30-18-7-8-18/h3-6,9-14,18H,7-8H2,1-2H3,(H,25,26)(H,31,33)(H,28,29,30).
What are the key properties of N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide?
N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(cyclopropylamino)pyrimidin-4-yl]-(1H-imidazol-2-yl)amino]-4-methylphenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 91531210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).