1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea

C18H26N4O — CID 128755511

IUPAC1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C18H26N4O/c1-11-2-3-20-16(4-11)22-17(23)21-10-18(19)14-6-12-5-13(8-14)9-15(18)7-12/h2-4,12-15H,5-10,19H2,1H3,(H2,20,21,22,23)
InChIKeyJTMFNCAAVPCINI-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.67
Rot. Bonds3

About 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea

1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea (PubChem CID 128755511) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea
PubChem CID128755511
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C18H26N4O/c1-11-2-3-20-16(4-11)22-17(23)21-10-18(19)14-6-12-5-13(8-14)9-15(18)7-12/h2-4,12-15H,5-10,19H2,1H3,(H2,20,21,22,23)
InChIKeyJTMFNCAAVPCINI-UHFFFAOYSA-N
XLogP2.67
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 75520786
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
2-isocyano-N-(4-methyl-2-pyridinyl)acetamide
CID 108814872
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46429748
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
CID 122316347

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea (CID 128755511) is 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is JTMFNCAAVPCINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-11-2-3-20-16(4-11)22-17(23)21-10-18(19)14-6-12-5-13(8-14)9-15(18)7-12/h2-4,12-15H,5-10,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea?
1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 314.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 128755511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).