N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide

C16H26N6O2 — CID 124619861

IUPACN-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide
SMILESCCN(C)C(=O)[C@H](C)NC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H26N6O2/c1-4-21(3)15(23)12(2)18-16(24)22-10-7-13(8-11-22)19-14-6-5-9-17-20-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,18,24)(H,19,20)/t12-/m0/s1
InChIKeyYAMRWNLLAJRHMW-LBPRGKRZSA-N
MW334.42 g/mol
LogP0.93
Rot. Bonds5

About N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide

N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide (PubChem CID 124619861) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide
PubChem CID124619861
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide
SMILESCCN(C)C(=O)[C@H](C)NC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H26N6O2/c1-4-21(3)15(23)12(2)18-16(24)22-10-7-13(8-11-22)19-14-6-5-9-17-20-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,18,24)(H,19,20)/t12-/m0/s1
InChIKeyYAMRWNLLAJRHMW-LBPRGKRZSA-N
XLogP0.93
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792
5-phenyl-4-[[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028325
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742
2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
CID 103112547
2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95350486
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide
CID 95601751
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide (CID 124619861) is N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide is CCN(C)C(=O)[C@H](C)NC(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide?
The InChIKey is YAMRWNLLAJRHMW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-4-21(3)15(23)12(2)18-16(24)22-10-7-13(8-11-22)19-14-6-5-9-17-20-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,18,24)(H,19,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide?
N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide is sourced from PubChem (CID 124619861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).