N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide

C23H35N5O2 — CID 167864026

IUPACN-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CN1CCOC(CNc2cccnn2)C1
InChIInChI=1S/C23H35N5O2/c1-27(16-23-10-17-7-18(11-23)9-19(8-17)12-23)22(29)15-28-5-6-30-20(14-28)13-24-21-3-2-4-25-26-21/h2-4,17-20H,5-16H2,1H3,(H,24,26)
InChIKeyUQLOEACXBGYIJE-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.26
Rot. Bonds7

About N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide

N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide (PubChem CID 167864026) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
PubChem CID167864026
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC NameN-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CN1CCOC(CNc2cccnn2)C1
InChIInChI=1S/C23H35N5O2/c1-27(16-23-10-17-7-18(11-23)9-19(8-17)12-23)22(29)15-28-5-6-30-20(14-28)13-24-21-3-2-4-25-26-21/h2-4,17-20H,5-16H2,1H3,(H,24,26)
InChIKeyUQLOEACXBGYIJE-UHFFFAOYSA-N
XLogP2.26
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96512525
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
CID 96512685
N-propan-2-yl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512499
N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872271
N-[[(2R)-4-(oxan-4-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512573
N-[[4-(oxolan-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872272
N-[[4-[(5-chlorothiophen-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928020
N-[[(2R)-4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512563
N-[[4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872233
N-[[(2R)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512611
N-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872216
N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512678

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide (CID 167864026) is N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CN1CCOC(CNc2cccnn2)C1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide?
The InChIKey is UQLOEACXBGYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-27(16-23-10-17-7-18(11-23)9-19(8-17)12-23)22(29)15-28-5-6-30-20(14-28)13-24-21-3-2-4-25-26-21/h2-4,17-20H,5-16H2,1H3,(H,24,26).
What are the key properties of N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide?
N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide has a molecular weight of 413.57 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 167864026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).