N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide

C22H30N4O3 — CID 18133630

IUPACN-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H30N4O3/c27-20(25-18-1-2-19(23-13-18)26-3-5-29-6-4-26)14-24-21(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-2,13,15-17H,3-12,14H2,(H,24,28)(H,25,27)
InChIKeyHSUOAJNVYIXRFV-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.19
Rot. Bonds5

About N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 18133630) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID18133630
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H30N4O3/c27-20(25-18-1-2-19(23-13-18)26-3-5-29-6-4-26)14-24-21(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-2,13,15-17H,3-12,14H2,(H,24,28)(H,25,27)
InChIKeyHSUOAJNVYIXRFV-UHFFFAOYSA-N
XLogP2.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976
3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide
CID 17438019
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride
CID 119839701
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide
CID 122318757
N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide
CID 69080854
1-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)cyclobutane-1-carboxamide
CID 115447710
2-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329220
N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 174969195

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 18133630) is N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is HSUOAJNVYIXRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20(25-18-1-2-19(23-13-18)26-3-5-29-6-4-26)14-24-21(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-2,13,15-17H,3-12,14H2,(H,24,28)(H,25,27).
What are the key properties of N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18133630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).