(3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C19H23N5O2 — CID 133142462

IUPAC(3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N(c2ncccn2)C1
InChIInChI=1S/C19H23N5O2/c1-23(13-15-5-2-3-7-20-15)18(25)14-11-17-16(6-10-26-17)24(12-14)19-21-8-4-9-22-19/h2-5,7-9,14,16-17H,6,10-13H2,1H3/t14-,16-,17-/m0/s1
InChIKeyGBWKDVDHNIISFM-XIRDDKMYSA-N
MW353.43 g/mol
LogP1.51
Rot. Bonds4

About (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 133142462) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID133142462
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N(c2ncccn2)C1
InChIInChI=1S/C19H23N5O2/c1-23(13-15-5-2-3-7-20-15)18(25)14-11-17-16(6-10-26-17)24(12-14)19-21-8-4-9-22-19/h2-5,7-9,14,16-17H,6,10-13H2,1H3/t14-,16-,17-/m0/s1
InChIKeyGBWKDVDHNIISFM-XIRDDKMYSA-N
XLogP1.51
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162
(3aR,6R,7aR)-4-methylsulfonyl-N-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97387379
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55980123
(3aR,6S,7aR)-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 155874599
(4aR,6S,8aR)-N,N-dimethyl-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 171317128
(3aS,7aR)-N-methyl-6-(3-methylcyclobutanecarbonyl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131683607
(2R,3aS,7aS)-6-cyclopropylsulfonyl-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877537
2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 131654464
trans-(1S,2S)-2-(furan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 97314930
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
(2S,3aR,6aR)-4-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124820150
(3aR,6R,7aR)-N-(furan-2-ylmethyl)-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97362955

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 133142462) is (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2OCC[C@@H]2N(c2ncccn2)C1.
What is the InChIKey of (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is GBWKDVDHNIISFM-XIRDDKMYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23(13-15-5-2-3-7-20-15)18(25)14-11-17-16(6-10-26-17)24(12-14)19-21-8-4-9-22-19/h2-5,7-9,14,16-17H,6,10-13H2,1H3/t14-,16-,17-/m0/s1.
What are the key properties of (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-N-methyl-N-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 133142462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).