N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C19H30N6O2 — CID 176648393

IUPACN-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILES[H]/N=C/c1c(C(C)C)nn(CC(=O)N[C@@H]2CCCN(C3CC3)C2)c(=O)c1NC
InChIInChI=1S/C19H30N6O2/c1-12(2)17-15(9-20)18(21-3)19(27)25(23-17)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14,20-21H,4-8,10-11H2,1-3H3,(H,22,26)/b20-9+/t13-/m1/s1
InChIKeyIVDRRMAPBNPPEV-PCQWDSEFSA-N
MW374.49 g/mol
LogP1.15
Rot. Bonds7

About N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 176648393) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID176648393
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC NameN-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILES[H]/N=C/c1c(C(C)C)nn(CC(=O)N[C@@H]2CCCN(C3CC3)C2)c(=O)c1NC
InChIInChI=1S/C19H30N6O2/c1-12(2)17-15(9-20)18(21-3)19(27)25(23-17)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14,20-21H,4-8,10-11H2,1-3H3,(H,22,26)/b20-9+/t13-/m1/s1
InChIKeyIVDRRMAPBNPPEV-PCQWDSEFSA-N
XLogP1.15
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 176648393) is N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is [H]/N=C/c1c(C(C)C)nn(CC(=O)N[C@@H]2CCCN(C3CC3)C2)c(=O)c1NC.
What is the InChIKey of N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is IVDRRMAPBNPPEV-PCQWDSEFSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-12(2)17-15(9-20)18(21-3)19(27)25(23-17)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14,20-21H,4-8,10-11H2,1-3H3,(H,22,26)/b20-9+/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-methanimidoyl-5-(methylamino)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 176648393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).