N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide

C18H25N3O3 — CID 99957505

IUPACN-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cn1
InChIInChI=1S/C18H25N3O3/c1-11(21-15(22)14-8-19-16(24-2)20-9-14)17-4-12-3-13(5-17)7-18(23,6-12)10-17/h8-9,11-13,23H,3-7,10H2,1-2H3,(H,21,22)/t11-,12-,13-,17?,18?/m1/s1
InChIKeyASOKISGXZQGKFX-LBENDPPBSA-N
MW331.42 g/mol
LogP1.93
Rot. Bonds4

About N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide

N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 99957505) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide
PubChem CID99957505
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cn1
InChIInChI=1S/C18H25N3O3/c1-11(21-15(22)14-8-19-16(24-2)20-9-14)17-4-12-3-13(5-17)7-18(23,6-12)10-17/h8-9,11-13,23H,3-7,10H2,1-2H3,(H,21,22)/t11-,12-,13-,17?,18?/m1/s1
InChIKeyASOKISGXZQGKFX-LBENDPPBSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methoxypyridine-4-carboxamide
CID 131909299
N-[1-(3-hydroxy-1-adamantyl)ethyl]-2-methylpropanamide
CID 162496168
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
N-[1-(1-adamantyl)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55738276
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 7929638
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
3-[1-[(3-chloro-2-pyridinyl)amino]ethyl]adamantan-1-ol
CID 134711908
N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1R)-1-(1-adamantyl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 7309342
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide (CID 99957505) is N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cn1.
What is the InChIKey of N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is ASOKISGXZQGKFX-LBENDPPBSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(21-15(22)14-8-19-16(24-2)20-9-14)17-4-12-3-13(5-17)7-18(23,6-12)10-17/h8-9,11-13,23H,3-7,10H2,1-2H3,(H,21,22)/t11-,12-,13-,17?,18?/m1/s1.
What are the key properties of N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide?
N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 99957505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).