N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide

C21H33N7O — CID 156513323

IUPACN-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC2CCN(C(=O)N(C)[C@H]3CCNC3)CC2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C21H33N7O/c1-14(2)28-13-23-19-18(11-15(3)24-20(19)28)25-16-6-9-27(10-7-16)21(29)26(4)17-5-8-22-12-17/h11,13-14,16-17,22H,5-10,12H2,1-4H3,(H,24,25)/t17-/m0/s1
InChIKeyOAUDAUJBYDCAAC-KRWDZBQOSA-N
MW399.54 g/mol
LogP2.61
Rot. Bonds4

About N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 156513323) has the molecular formula C21H33N7O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID156513323
Molecular FormulaC21H33N7O
Molecular Weight399.54 g/mol
Exact Mass399.27
IUPAC NameN-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC2CCN(C(=O)N(C)[C@H]3CCNC3)CC2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C21H33N7O/c1-14(2)28-13-23-19-18(11-15(3)24-20(19)28)25-16-6-9-27(10-7-16)21(29)26(4)17-5-8-22-12-17/h11,13-14,16-17,22H,5-10,12H2,1-4H3,(H,24,25)/t17-/m0/s1
InChIKeyOAUDAUJBYDCAAC-KRWDZBQOSA-N
XLogP2.61
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]piperidine-1-carboxylate
CID 156513522
7-N-piperidin-4-yl-5-N,3-di(propan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 156513317
1-[4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carbonyl]-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 171481422
N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124613889
[(3S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl] 4-[[2-(cyclopropylamino)-9-propan-2-ylpurin-6-yl]amino]piperidine-1-carboxylate
CID 156513369
N,N-dimethyl-4-[(2-methyl-3-pyridinyl)amino]piperidine-1-carboxamide
CID 83261618
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119550121
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553835
N,6-dimethyl-N-piperidin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119441231
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119449551
4-(2,5-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236467

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide (CID 156513323) is N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide is Cc1cc(NC2CCN(C(=O)N(C)[C@H]3CCNC3)CC2)c2ncn(C(C)C)c2n1.
What is the InChIKey of N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is OAUDAUJBYDCAAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H33N7O/c1-14(2)28-13-23-19-18(11-15(3)24-20(19)28)25-16-6-9-27(10-7-16)21(29)26(4)17-5-8-22-12-17/h11,13-14,16-17,22H,5-10,12H2,1-4H3,(H,24,25)/t17-/m0/s1.
What are the key properties of N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]-N-[(3S)-pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 156513323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).