(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C20H30N4O3 — CID 131682357

IUPAC(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccnc(N3CCOCC3)c2)C1
InChIInChI=1S/C20H30N4O3/c1-22(2)20(25)16-12-18-17(4-8-27-18)24(14-16)13-15-3-5-21-19(11-15)23-6-9-26-10-7-23/h3,5,11,16-18H,4,6-10,12-14H2,1-2H3/t16-,17+,18+/m0/s1
InChIKeyVLQMZYYVXXMYML-RCCFBDPRSA-N
MW374.49 g/mol
LogP0.99
Rot. Bonds4

About (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 131682357) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID131682357
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccnc(N3CCOCC3)c2)C1
InChIInChI=1S/C20H30N4O3/c1-22(2)20(25)16-12-18-17(4-8-27-18)24(14-16)13-15-3-5-21-19(11-15)23-6-9-26-10-7-23/h3,5,11,16-18H,4,6-10,12-14H2,1-2H3/t16-,17+,18+/m0/s1
InChIKeyVLQMZYYVXXMYML-RCCFBDPRSA-N
XLogP0.99
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

(3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 131682352
(3aS,6R,7aS)-4-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124812295
(3aR,6S,7aR)-N,N-dimethyl-4-(2-phenylmethoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97388013
(3aR,6R,7aR)-4-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 98810492
[(3aS,6R,7aS)-4-(pyridin-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124786964
[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 97362944
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
(4aR,6S,8aR)-4-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide
CID 166624039
[(3aR,6S,7aR)-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97380401
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186023

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 131682357) is (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccnc(N3CCOCC3)c2)C1.
What is the InChIKey of (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is VLQMZYYVXXMYML-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-22(2)20(25)16-12-18-17(4-8-27-18)24(14-16)13-15-3-5-21-19(11-15)23-6-9-26-10-7-23/h3,5,11,16-18H,4,6-10,12-14H2,1-2H3/t16-,17+,18+/m0/s1.
What are the key properties of (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N,N-dimethyl-4-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 131682357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).