4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

C19H22N4O3 — CID 47066157

IUPAC4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)ccc1=O
InChIInChI=1S/C19H22N4O3/c1-2-11-23-12-16(9-10-17(23)24)20-18(25)13-3-5-14(6-4-13)21-19(26)22-15-7-8-15/h3-6,9-10,12,15H,2,7-8,11H2,1H3,(H,20,25)(H2,21,22,26)
InChIKeyJOQDZOKBWQMRKJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.79
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (PubChem CID 47066157) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
PubChem CID47066157
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)ccc1=O
InChIInChI=1S/C19H22N4O3/c1-2-11-23-12-16(9-10-17(23)24)20-18(25)13-3-5-14(6-4-13)21-19(26)22-15-7-8-15/h3-6,9-10,12,15H,2,7-8,11H2,1H3,(H,20,25)(H2,21,22,26)
InChIKeyJOQDZOKBWQMRKJ-UHFFFAOYSA-N
XLogP2.79
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (CID 47066157) is 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is CCCn1cc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)ccc1=O.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The InChIKey is JOQDZOKBWQMRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-11-23-12-16(9-10-17(23)24)20-18(25)13-3-5-14(6-4-13)21-19(26)22-15-7-8-15/h3-6,9-10,12,15H,2,7-8,11H2,1H3,(H,20,25)(H2,21,22,26).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is sourced from PubChem (CID 47066157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).