N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride

C14H22ClN3O2 — CID 155835134

IUPACN-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cccc1C(=O)NC[C@H]1OC[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C14H21N3O2.ClH/c1-17-6-2-3-12(17)14(18)16-8-13-11-7-15-5-4-10(11)9-19-13;/h2-3,6,10-11,13,15H,4-5,7-9H2,1H3,(H,16,18);1H/t10-,11-,13+;/m0./s1
InChIKeyPJJARQDQXGUCMQ-VDWBQBBKSA-N
MW299.80 g/mol
LogP0.80
Rot. Bonds3

About N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride

N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride (PubChem CID 155835134) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
PubChem CID155835134
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1cccc1C(=O)NC[C@H]1OC[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C14H21N3O2.ClH/c1-17-6-2-3-12(17)14(18)16-8-13-11-7-15-5-4-10(11)9-19-13;/h2-3,6,10-11,13,15H,4-5,7-9H2,1H3,(H,16,18);1H/t10-,11-,13+;/m0./s1
InChIKeyPJJARQDQXGUCMQ-VDWBQBBKSA-N
XLogP0.80
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124548013
N-[[(1S,3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 155850689
[(3S,3aR,7aR)-3-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97459916
1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80564395
N-[[(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124800566
1-[[(3S,3aR,7aR)-5-(1-methylpyrrole-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 133142680
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80563001
N-(pyrrolidin-3-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610544
N-(1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-1-ylmethyl)methanesulfonamide;hydrochloride
CID 171158832
N-[(3R)-piperidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 113436690

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride (CID 155835134) is N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride is Cl.Cn1cccc1C(=O)NC[C@H]1OC[C@@H]2CCNC[C@@H]21.
What is the InChIKey of N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is PJJARQDQXGUCMQ-VDWBQBBKSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-17-6-2-3-12(17)14(18)16-8-13-11-7-15-5-4-10(11)9-19-13;/h2-3,6,10-11,13,15H,4-5,7-9H2,1H3,(H,16,18);1H/t10-,11-,13+;/m0./s1.
What are the key properties of N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride?
N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1-methylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 155835134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).