N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide

C13H15N3O2 — CID 1226004

IUPACN-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)n1)C1CC1
InChIInChI=1S/C13H15N3O2/c17-12(8-4-5-8)15-10-2-1-3-11(14-10)16-13(18)9-6-7-9/h1-3,8-9H,4-7H2,(H2,14,15,16,17,18)
InChIKeyZCASESWHDUPOFL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.78
Rot. Bonds4

About N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide

N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 1226004) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID1226004
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC2)n1)C1CC1
InChIInChI=1S/C13H15N3O2/c17-12(8-4-5-8)15-10-2-1-3-11(14-10)16-13(18)9-6-7-9/h1-3,8-9H,4-7H2,(H2,14,15,16,17,18)
InChIKeyZCASESWHDUPOFL-UHFFFAOYSA-N
XLogP1.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide (CID 1226004) is N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cccc(NC(=O)C2CC2)n1)C1CC1.
What is the InChIKey of N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZCASESWHDUPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12(8-4-5-8)15-10-2-1-3-11(14-10)16-13(18)9-6-7-9/h1-3,8-9H,4-7H2,(H2,14,15,16,17,18).
What are the key properties of N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide?
N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropanecarbonylamino)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 1226004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).