N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide

C18H25N5O3 — CID 167944450

IUPACN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide
SMILESCOc1ncnc(N(C)C)c1NC(=O)N1CCCCCC1c1ccco1
InChIInChI=1S/C18H25N5O3/c1-22(2)16-15(17(25-3)20-12-19-16)21-18(24)23-10-6-4-5-8-13(23)14-9-7-11-26-14/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,21,24)
InChIKeyNEIWNMUKFGFQRU-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide

N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide (PubChem CID 167944450) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide
PubChem CID167944450
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide
SMILESCOc1ncnc(N(C)C)c1NC(=O)N1CCCCCC1c1ccco1
InChIInChI=1S/C18H25N5O3/c1-22(2)16-15(17(25-3)20-12-19-16)21-18(24)23-10-6-4-5-8-13(23)14-9-7-11-26-14/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,21,24)
InChIKeyNEIWNMUKFGFQRU-UHFFFAOYSA-N
XLogP3.29
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide
CID 100665143
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 51551008
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349
(2S)-2-(furan-2-yl)-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]azepane-1-carboxamide
CID 96563066
2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide
CID 71868116
(2R)-N-(2-bromophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 92500060
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)azepane-1-carboxamide
CID 154793809

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide (CID 167944450) is N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide is COc1ncnc(N(C)C)c1NC(=O)N1CCCCCC1c1ccco1.
What is the InChIKey of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide?
The InChIKey is NEIWNMUKFGFQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-22(2)16-15(17(25-3)20-12-19-16)21-18(24)23-10-6-4-5-8-13(23)14-9-7-11-26-14/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide?
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 167944450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).