2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide

C15H15N5O3 — CID 91667414

IUPAC2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O
InChIInChI=1S/C15H15N5O3/c1-23-15-10(12(16)21)7-18-13(20-15)9-4-5-17-11(6-9)19-14(22)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,21)(H,17,19,22)
InChIKeyFGIRBKPXCMZGGV-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.99
Rot. Bonds5

About 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide

2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 91667414) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID91667414
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O
InChIInChI=1S/C15H15N5O3/c1-23-15-10(12(16)21)7-18-13(20-15)9-4-5-17-11(6-9)19-14(22)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,21)(H,17,19,22)
InChIKeyFGIRBKPXCMZGGV-UHFFFAOYSA-N
XLogP0.99
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide (CID 91667414) is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide is COc1nc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O.
What is the InChIKey of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is FGIRBKPXCMZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-23-15-10(12(16)21)7-18-13(20-15)9-4-5-17-11(6-9)19-14(22)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,21)(H,17,19,22).
What are the key properties of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide?
2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 91667414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).