N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide

C16H19N3O2 — CID 61067037

IUPACN-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H19N3O2/c1-10(2)19(9-11-7-8-11)16(21)14-12-5-3-4-6-13(12)15(20)18-17-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,20)
InChIKeyYBZQFKPOTCYAJK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.18
Rot. Bonds4

About N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide

N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide (PubChem CID 61067037) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
PubChem CID61067037
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H19N3O2/c1-10(2)19(9-11-7-8-11)16(21)14-12-5-3-4-6-13(12)15(20)18-17-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,20)
InChIKeyYBZQFKPOTCYAJK-UHFFFAOYSA-N
XLogP2.18
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide (CID 61067037) is N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide is CC(C)N(CC1CC1)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
The InChIKey is YBZQFKPOTCYAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)19(9-11-7-8-11)16(21)14-12-5-3-4-6-13(12)15(20)18-17-14/h3-6,10-11H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide?
N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 61067037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).