6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide

C22H27ClN6O — CID 71025359

IUPAC6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(NCCC(C)(C)N)nc3)ccc2Cl)n1C
InChIInChI=1S/C22H27ClN6O/c1-14-12-27-20(29(14)4)17-11-16(6-7-18(17)23)28-21(30)15-5-8-19(26-13-15)25-10-9-22(2,3)24/h5-8,11-13H,9-10,24H2,1-4H3,(H,25,26)(H,28,30)
InChIKeyUNIQJMAIDDYHSZ-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.24
Rot. Bonds7

About 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide

6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 71025359) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID71025359
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC Name6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(NCCC(C)(C)N)nc3)ccc2Cl)n1C
InChIInChI=1S/C22H27ClN6O/c1-14-12-27-20(29(14)4)17-11-16(6-7-18(17)23)28-21(30)15-5-8-19(26-13-15)25-10-9-22(2,3)24/h5-8,11-13H,9-10,24H2,1-4H3,(H,25,26)(H,28,30)
InChIKeyUNIQJMAIDDYHSZ-UHFFFAOYSA-N
XLogP4.24
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 71025360
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 71025382
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
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CID 170126154
N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide
CID 143772018
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 58614711
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
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N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide
CID 143198886
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133326827

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide (CID 71025359) is 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide is Cc1cnc(-c2cc(NC(=O)c3ccc(NCCC(C)(C)N)nc3)ccc2Cl)n1C.
What is the InChIKey of 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is UNIQJMAIDDYHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O/c1-14-12-27-20(29(14)4)17-11-16(6-7-18(17)23)28-21(30)15-5-8-19(26-13-15)25-10-9-22(2,3)24/h5-8,11-13H,9-10,24H2,1-4H3,(H,25,26)(H,28,30).
What are the key properties of 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide?
6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71025359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).