(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C14H19FN4O2 — CID 134689425

IUPAC(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCN(C)C(=O)[C@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C14H19FN4O2/c1-18(2)12(20)14-4-6-21-11(14)3-5-19(9-14)13-16-7-10(15)8-17-13/h7-8,11H,3-6,9H2,1-2H3/t11-,14+/m1/s1
InChIKeyVPBMPTAEKXUQRN-RISCZKNCSA-N
MW294.33 g/mol
LogP0.69
Rot. Bonds2

About (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 134689425) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID134689425
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCN(C)C(=O)[C@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C14H19FN4O2/c1-18(2)12(20)14-4-6-21-11(14)3-5-19(9-14)13-16-7-10(15)8-17-13/h7-8,11H,3-6,9H2,1-2H3/t11-,14+/m1/s1
InChIKeyVPBMPTAEKXUQRN-RISCZKNCSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Related Compounds

3-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-1,1-dimethylurea
CID 97477281
(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 125233531
2-(Cyclopropylmethyl)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 133137216
(5S)-9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970791
(5S)-9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970989
(5R)-9-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653299
(5R)-9-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653392
9-(5-Fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722707
9-(5-Fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 67505667
(3aR,7aR)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 97362747
2-[(3aR,7S,7aS)-2-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-methylacetamide
CID 97364757
(3aS,4R,7aS)-6-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364995

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 134689425) is (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CN(C)C(=O)[C@]12CCO[C@@H]1CCN(c1ncc(F)cn1)C2.
What is the InChIKey of (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is VPBMPTAEKXUQRN-RISCZKNCSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-18(2)12(20)14-4-6-21-11(14)3-5-19(9-14)13-16-7-10(15)8-17-13/h7-8,11H,3-6,9H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 134689425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).