N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide

C17H23N5O3 — CID 95156971

IUPACN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCc1nnc2n1C[C@@H](NC(=O)c1occc1CN1CCOCC1)CC2
InChIInChI=1S/C17H23N5O3/c1-12-19-20-15-3-2-14(11-22(12)15)18-17(23)16-13(4-7-25-16)10-21-5-8-24-9-6-21/h4,7,14H,2-3,5-6,8-11H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyBSZWMUBHSXPYIM-AWEZNQCLSA-N
MW345.40 g/mol
LogP0.76
Rot. Bonds4

About N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide

N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide (PubChem CID 95156971) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide
PubChem CID95156971
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCc1nnc2n1C[C@@H](NC(=O)c1occc1CN1CCOCC1)CC2
InChIInChI=1S/C17H23N5O3/c1-12-19-20-15-3-2-14(11-22(12)15)18-17(23)16-13(4-7-25-16)10-21-5-8-24-9-6-21/h4,7,14H,2-3,5-6,8-11H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyBSZWMUBHSXPYIM-AWEZNQCLSA-N
XLogP0.76
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide (CID 95156971) is N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide is Cc1nnc2n1C[C@@H](NC(=O)c1occc1CN1CCOCC1)CC2.
What is the InChIKey of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is BSZWMUBHSXPYIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-19-20-15-3-2-14(11-22(12)15)18-17(23)16-13(4-7-25-16)10-21-5-8-24-9-6-21/h4,7,14H,2-3,5-6,8-11H2,1H3,(H,18,23)/t14-/m0/s1.
What are the key properties of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide?
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-(morpholin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 95156971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).