1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide

C22H19N5O3 — CID 161246285

IUPAC1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2c1C=C(c1cc(-c3ncco3)ccn1)C2
InChIInChI=1S/C22H19N5O3/c1-23-21(29)17-11-26-19(27-20(28)12-2-3-12)16-9-14(8-15(16)17)18-10-13(4-5-24-18)22-25-6-7-30-22/h4-8,10-12H,2-3,9H2,1H3,(H,23,29)(H,26,27,28)
InChIKeyVARJZIUCQGDVJT-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.94
Rot. Bonds5

About 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide

1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 161246285) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID161246285
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2c1C=C(c1cc(-c3ncco3)ccn1)C2
InChIInChI=1S/C22H19N5O3/c1-23-21(29)17-11-26-19(27-20(28)12-2-3-12)16-9-14(8-15(16)17)18-10-13(4-5-24-18)22-25-6-7-30-22/h4-8,10-12H,2-3,9H2,1H3,(H,23,29)(H,26,27,28)
InChIKeyVARJZIUCQGDVJT-UHFFFAOYSA-N
XLogP2.94
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20628843
2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide
CID 177347100
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
6-(cyclopropanecarbonylamino)-5-[2-[ethenyl(methyl)amino]-2-methylhydrazinyl]-N,4-dimethylpyridine-3-carboxamide
CID 146644441
3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551453
7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592284
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592200
7-(cyclopropanecarbonylamino)-N-methyl-2-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592235
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(2,5-dimethyl-1,3-oxazol-4-yl)-N,2-dimethyl-5-(1,3-oxazol-2-yl)benzamide
CID 67515296
7-(cyclopropanecarbonylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592251
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592237

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide (CID 161246285) is 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2c1C=C(c1cc(-c3ncco3)ccn1)C2.
What is the InChIKey of 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is VARJZIUCQGDVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-23-21(29)17-11-26-19(27-20(28)12-2-3-12)16-9-14(8-15(16)17)18-10-13(4-5-24-18)22-25-6-7-30-22/h4-8,10-12H,2-3,9H2,1H3,(H,23,29)(H,26,27,28).
What are the key properties of 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide?
1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonylamino)-N-methyl-6-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 161246285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).