2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide

C18H20N4O3 — CID 118070963

IUPAC2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H20N4O3/c1-18(2,25)13-6-7-19-10-14(13)21-17(24)12-5-8-20-15(9-12)22-16(23)11-3-4-11/h5-11,25H,3-4H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyNCMRFSCEYJSKBH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.30
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118070963) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118070963
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H20N4O3/c1-18(2,25)13-6-7-19-10-14(13)21-17(24)12-5-8-20-15(9-12)22-16(23)11-3-4-11/h5-11,25H,3-4H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyNCMRFSCEYJSKBH-UHFFFAOYSA-N
XLogP2.30
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 118070963) is 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide is CC(C)(O)c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is NCMRFSCEYJSKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(2,25)13-6-7-19-10-14(13)21-17(24)12-5-8-20-15(9-12)22-16(23)11-3-4-11/h5-11,25H,3-4H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[4-(2-hydroxypropan-2-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118070963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).