(2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide

C19H26N4O3 — CID 51496401

IUPAC(2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide
SMILESCc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCC3CCCCC3)n2)o1
InChIInChI=1S/C19H26N4O3/c1-12-8-9-17(26-12)16-10-15(20)19(25)23(22-16)13(2)18(24)21-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11,20H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyPUDOJFQUYPZIKF-CYBMUJFWSA-N
MW358.44 g/mol
LogP2.65
Rot. Bonds5

About (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide

(2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide (PubChem CID 51496401) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide
PubChem CID51496401
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide
SMILESCc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCC3CCCCC3)n2)o1
InChIInChI=1S/C19H26N4O3/c1-12-8-9-17(26-12)16-10-15(20)19(25)23(22-16)13(2)18(24)21-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11,20H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyPUDOJFQUYPZIKF-CYBMUJFWSA-N
XLogP2.65
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide (CID 51496401) is (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide is Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)NCC3CCCCC3)n2)o1.
What is the InChIKey of (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide?
The InChIKey is PUDOJFQUYPZIKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-8-9-17(26-12)16-10-15(20)19(25)23(22-16)13(2)18(24)21-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11,20H2,1-2H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide?
(2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 51496401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).