N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide

C21H30N4O2 — CID 30296450

IUPACN-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C21H30N4O2/c1-13(19(26)24-17-4-5-18(22-12-17)25(2)3)23-20(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,12-16H,6-11H2,1-3H3,(H,23,27)(H,24,26)/t13-,14?,15?,16?,21?/m0/s1
InChIKeyIOLDWESLUQMUTP-JHMRYYBSSA-N
MW370.50 g/mol
LogP2.81
Rot. Bonds5

About N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide

N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 30296450) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID30296450
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C21H30N4O2/c1-13(19(26)24-17-4-5-18(22-12-17)25(2)3)23-20(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,12-16H,6-11H2,1-3H3,(H,23,27)(H,24,26)/t13-,14?,15?,16?,21?/m0/s1
InChIKeyIOLDWESLUQMUTP-JHMRYYBSSA-N
XLogP2.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide with MolForge

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Related Compounds

N-[1-(4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5229641
N-[(2R)-1-(4-iodoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 29404544
N-[(2S)-1-[4-(cyanomethyl)anilino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9260626
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9038662
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888685
N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide
CID 25481046
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
N-[3-methyl-1-oxo-1-(thiophen-3-ylamino)butan-2-yl]adamantane-1-carboxamide
CID 136526541
2-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 106312117
N-[1-(4-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 46522993
(2S)-2-(1-adamantylamino)-N-(4-bromophenyl)propanamide
CID 9358485

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 30296450) is N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide is C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is IOLDWESLUQMUTP-JHMRYYBSSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-13(19(26)24-17-4-5-18(22-12-17)25(2)3)23-20(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,12-16H,6-11H2,1-3H3,(H,23,27)(H,24,26)/t13-,14?,15?,16?,21?/m0/s1.
What are the key properties of N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 30296450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).