6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide

C21H25N7O3 — CID 171437069

IUPAC6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide
SMILESCCc1nc2c(Nc3cc(NC(=O)C4CC4)ncc3C(=O)NC)cn(C)c2c(=O)n1C
InChIInChI=1S/C21H25N7O3/c1-5-16-26-17-14(10-27(3)18(17)21(31)28(16)4)24-13-8-15(25-19(29)11-6-7-11)23-9-12(13)20(30)22-2/h8-11H,5-7H2,1-4H3,(H,22,30)(H2,23,24,25,29)
InChIKeyYVBGJYGKXYXMSQ-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.68
Rot. Bonds6

About 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 171437069) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide
PubChem CID171437069
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide
SMILESCCc1nc2c(Nc3cc(NC(=O)C4CC4)ncc3C(=O)NC)cn(C)c2c(=O)n1C
InChIInChI=1S/C21H25N7O3/c1-5-16-26-17-14(10-27(3)18(17)21(31)28(16)4)24-13-8-15(25-19(29)11-6-7-11)23-9-12(13)20(30)22-2/h8-11H,5-7H2,1-4H3,(H,22,30)(H2,23,24,25,29)
InChIKeyYVBGJYGKXYXMSQ-UHFFFAOYSA-N
XLogP1.68
TPSA122.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[[3-[(2S)-3,3-dimethylbutan-2-yl]-7-methyl-4-oxopyrrolo[2,3-d]pyrimidin-5-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437147
6-(cyclopropanecarbonylamino)-4-[[7-methyl-4-oxo-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437515
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridine-3-carboxamide
CID 164903097
6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
CID 176564053
4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171436853
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-methyl-1,5-dihydro-1,2,4-triazol-5-yl)anilino]-N-methylpyridine-3-carboxamide
CID 138645799
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437300
2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide
CID 177347100
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]-N-methylpyridine-3-carboxamide
CID 176564124
6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171437618

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide (CID 171437069) is 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide is CCc1nc2c(Nc3cc(NC(=O)C4CC4)ncc3C(=O)NC)cn(C)c2c(=O)n1C.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is YVBGJYGKXYXMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-5-16-26-17-14(10-27(3)18(17)21(31)28(16)4)24-13-8-15(25-19(29)11-6-7-11)23-9-12(13)20(30)22-2/h8-11H,5-7H2,1-4H3,(H,22,30)(H2,23,24,25,29).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 171437069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).