2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide

C17H19N5O3 — CID 118732151

IUPAC2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide
SMILESCC(C)Oc1nc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O
InChIInChI=1S/C17H19N5O3/c1-9(2)25-17-12(14(18)23)8-20-15(22-17)11-5-6-19-13(7-11)21-16(24)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,18,23)(H,19,21,24)
InChIKeyUEIKLZDPCVXIDX-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.77
Rot. Bonds6

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

2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide (PubChem CID 118732151) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide
PubChem CID118732151
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide
SMILESCC(C)Oc1nc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O
InChIInChI=1S/C17H19N5O3/c1-9(2)25-17-12(14(18)23)8-20-15(22-17)11-5-6-19-13(7-11)21-16(24)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,18,23)(H,19,21,24)
InChIKeyUEIKLZDPCVXIDX-UHFFFAOYSA-N
XLogP1.77
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.77
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-propan-2-yloxypyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide (CID 118732151) is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide is CC(C)Oc1nc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O.
What is the InChIKey of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide?
The InChIKey is UEIKLZDPCVXIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-9(2)25-17-12(14(18)23)8-20-15(22-17)11-5-6-19-13(7-11)21-16(24)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,18,23)(H,19,21,24).
What are the key properties of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide?
2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-propan-2-yloxypyrimidine-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.77, 6 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-propan-2-yloxypyrimidine-5-carboxamide is sourced from PubChem (CID 118732151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).