N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide

C18H24N4O2 — CID 25225453

IUPACN-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C18H24N4O2/c1-11(23)20-16-3-2-15(10-19-16)21-17(24)22-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,10,12-14H,4-9H2,1H3,(H,19,20,23)(H2,21,22,24)
InChIKeyFVNSWCDMQRXHLL-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.13
Rot. Bonds3

About N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide

N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide (PubChem CID 25225453) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide
PubChem CID25225453
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C18H24N4O2/c1-11(23)20-16-3-2-15(10-19-16)21-17(24)22-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,10,12-14H,4-9H2,1H3,(H,19,20,23)(H2,21,22,24)
InChIKeyFVNSWCDMQRXHLL-UHFFFAOYSA-N
XLogP3.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-3-(6-amino-3-pyridinyl)urea
CID 62901081
1-(1-adamantyl)-3-(4-tert-butylphenyl)urea
CID 108884866
1-(1-adamantyl)-3-[4-(2-oxopropyl)phenyl]urea
CID 71595179
4-(1-adamantylcarbamoylamino)benzamide
CID 108896054
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
1-(1-adamantyl)-3-(4-bromo-3-methylphenyl)urea
CID 108896079
1-(1-adamantyl)-3-(3,4-diethoxyphenyl)urea
CID 108896002
1-(1-adamantyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895563
1-(1-adamantyl)-3-[4-(diaminomethylideneamino)phenyl]urea
CID 22141500
1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 75365065
4-(1-adamantylcarbamoylamino)-N-cyclopropylbenzamide
CID 17180551
3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid
CID 11595336

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide (CID 25225453) is N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide?
The InChIKey is FVNSWCDMQRXHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(23)20-16-3-2-15(10-19-16)21-17(24)22-18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,10,12-14H,4-9H2,1H3,(H,19,20,23)(H2,21,22,24).
What are the key properties of N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide?
N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantylcarbamoylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 25225453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).