N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide

C21H25N3O2 — CID 139001498

IUPACN-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
SMILESO=C(NCC1CCCN1Cc1ccccc1)c1cc2c(cn1)OCCC2
InChIInChI=1S/C21H25N3O2/c25-21(19-12-17-8-5-11-26-20(17)14-22-19)23-13-18-9-4-10-24(18)15-16-6-2-1-3-7-16/h1-3,6-7,12,14,18H,4-5,8-11,13,15H2,(H,23,25)
InChIKeyVDYDGTCSOVIKAS-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.80
Rot. Bonds5

About N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide

N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide (PubChem CID 139001498) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
PubChem CID139001498
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
SMILESO=C(NCC1CCCN1Cc1ccccc1)c1cc2c(cn1)OCCC2
InChIInChI=1S/C21H25N3O2/c25-21(19-12-17-8-5-11-26-20(17)14-22-19)23-13-18-9-4-10-24(18)15-16-6-2-1-3-7-16/h1-3,6-7,12,14,18H,4-5,8-11,13,15H2,(H,23,25)
InChIKeyVDYDGTCSOVIKAS-UHFFFAOYSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide (CID 139001498) is N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide is O=C(NCC1CCCN1Cc1ccccc1)c1cc2c(cn1)OCCC2.
What is the InChIKey of N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
The InChIKey is VDYDGTCSOVIKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(19-12-17-8-5-11-26-20(17)14-22-19)23-13-18-9-4-10-24(18)15-16-6-2-1-3-7-16/h1-3,6-7,12,14,18H,4-5,8-11,13,15H2,(H,23,25).
What are the key properties of N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide?
N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 139001498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).