N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide

C14H23N5O2 — CID 62177406

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCC(=O)NC(C)CC)nn1
InChIInChI=1S/C14H23N5O2/c1-4-10(3)17-13(20)8-9-16-14(21)11-6-7-12(15-5-2)19-18-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,19)(H,16,21)(H,17,20)
InChIKeyQEKQKTNFAVJMRC-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.94
Rot. Bonds8

About N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide (PubChem CID 62177406) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
PubChem CID62177406
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCC(=O)NC(C)CC)nn1
InChIInChI=1S/C14H23N5O2/c1-4-10(3)17-13(20)8-9-16-14(21)11-6-7-12(15-5-2)19-18-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,19)(H,16,21)(H,17,20)
InChIKeyQEKQKTNFAVJMRC-UHFFFAOYSA-N
XLogP0.94
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
CID 115690617
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62177054
6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
CID 113450833
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105069549
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62166382
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
6-(ethylamino)-N-hexan-3-ylpyridazine-3-carboxamide
CID 62181112

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide (CID 62177406) is N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide is CCNc1ccc(C(=O)NCCC(=O)NC(C)CC)nn1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide?
The InChIKey is QEKQKTNFAVJMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-10(3)17-13(20)8-9-16-14(21)11-6-7-12(15-5-2)19-18-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,19)(H,16,21)(H,17,20).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62177406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).