(2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide

C15H25N5O2 — CID 70762803

IUPAC(2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide
SMILESCN[C@@H](C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C15H25N5O2/c1-11(16-2)15(22)17-9-12-4-6-20(7-5-12)13-8-14(21)19(3)18-10-13/h8,10-12,16H,4-7,9H2,1-3H3,(H,17,22)/t11-/m0/s1
InChIKeyBDGHBXDVCVAWLH-NSHDSACASA-N
MW307.40 g/mol
LogP-0.28
Rot. Bonds5

About (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide

(2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide (PubChem CID 70762803) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide
PubChem CID70762803
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide
SMILESCN[C@@H](C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C15H25N5O2/c1-11(16-2)15(22)17-9-12-4-6-20(7-5-12)13-8-14(21)19(3)18-10-13/h8,10-12,16H,4-7,9H2,1-3H3,(H,17,22)/t11-/m0/s1
InChIKeyBDGHBXDVCVAWLH-NSHDSACASA-N
XLogP-0.28
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
(2S)-2-amino-2-cyclohexyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}acetamide
CID 70773681
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
N-cyclopentyl-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202029
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide (CID 70762803) is (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide is CN[C@@H](C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide?
The InChIKey is BDGHBXDVCVAWLH-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(16-2)15(22)17-9-12-4-6-20(7-5-12)13-8-14(21)19(3)18-10-13/h8,10-12,16H,4-7,9H2,1-3H3,(H,17,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide?
(2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide has a molecular weight of 307.40 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 70762803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).