N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C14H21N5O3 — CID 56814015

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NC2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C14H21N5O3/c1-8-9(2)17-18-14(22)12(8)13(21)16-10-3-5-19(6-4-10)7-11(15)20/h10H,3-7H2,1-2H3,(H2,15,20)(H,16,21)(H,18,22)
InChIKeyNNZSKTJUVHWIAC-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.93
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 56814015) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID56814015
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NC2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C14H21N5O3/c1-8-9(2)17-18-14(22)12(8)13(21)16-10-3-5-19(6-4-10)7-11(15)20/h10H,3-7H2,1-2H3,(H2,15,20)(H,16,21)(H,18,22)
InChIKeyNNZSKTJUVHWIAC-UHFFFAOYSA-N
XLogP-0.93
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 56814015) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NC2CCN(CC(N)=O)CC2)c1C.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is NNZSKTJUVHWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-8-9(2)17-18-14(22)12(8)13(21)16-10-3-5-19(6-4-10)7-11(15)20/h10H,3-7H2,1-2H3,(H2,15,20)(H,16,21)(H,18,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 56814015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).