(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide

C17H27N5O2 — CID 98765693

IUPAC(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
SMILESC[C@H](N[C@H]1CCCN(c2cccnn2)C1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H27N5O2/c1-13(17(23)18-11-15-6-4-10-24-15)20-14-5-3-9-22(12-14)16-7-2-8-19-21-16/h2,7-8,13-15,20H,3-6,9-12H2,1H3,(H,18,23)/t13-,14-,15-/m0/s1
InChIKeyMYRRSGRUDSUAFX-KKUMJFAQSA-N
MW333.44 g/mol
LogP0.72
Rot. Bonds6

About (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide

(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide (PubChem CID 98765693) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
PubChem CID98765693
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
SMILESC[C@H](N[C@H]1CCCN(c2cccnn2)C1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H27N5O2/c1-13(17(23)18-11-15-6-4-10-24-15)20-14-5-3-9-22(12-14)16-7-2-8-19-21-16/h2,7-8,13-15,20H,3-6,9-12H2,1H3,(H,18,23)/t13-,14-,15-/m0/s1
InChIKeyMYRRSGRUDSUAFX-KKUMJFAQSA-N
XLogP0.72
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95342984
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide
CID 124886784
3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
CID 120872944
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 100843241
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95344749
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027204
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321236
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide?
The IUPAC name of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide (CID 98765693) is (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide?
The canonical SMILES for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide is C[C@H](N[C@H]1CCCN(c2cccnn2)C1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide?
The InChIKey is MYRRSGRUDSUAFX-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(17(23)18-11-15-6-4-10-24-15)20-14-5-3-9-22(12-14)16-7-2-8-19-21-16/h2,7-8,13-15,20H,3-6,9-12H2,1H3,(H,18,23)/t13-,14-,15-/m0/s1.
What are the key properties of (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide?
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide has a molecular weight of 333.44 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide is sourced from PubChem (CID 98765693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).