[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C24H30N4O2 — CID 46218918

IUPAC[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1ccc(NC[C@@H]2C[C@H]3C[C@H]3CN2C(=O)c2nc(C)ccc2OCC2CC2)nc1
InChIInChI=1S/C24H30N4O2/c1-15-3-8-22(25-11-15)26-12-20-10-18-9-19(18)13-28(20)24(29)23-21(7-4-16(2)27-23)30-14-17-5-6-17/h3-4,7-8,11,17-20H,5-6,9-10,12-14H2,1-2H3,(H,25,26)/t18-,19+,20+/m1/s1
InChIKeyCASGQJXMMUMBTN-AABGKKOBSA-N
MW406.53 g/mol
LogP3.84
Rot. Bonds7

About [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 46218918) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
PubChem CID46218918
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1ccc(NC[C@@H]2C[C@H]3C[C@H]3CN2C(=O)c2nc(C)ccc2OCC2CC2)nc1
InChIInChI=1S/C24H30N4O2/c1-15-3-8-22(25-11-15)26-12-20-10-18-9-19(18)13-28(20)24(29)23-21(7-4-16(2)27-23)30-14-17-5-6-17/h3-4,7-8,11,17-20H,5-6,9-10,12-14H2,1-2H3,(H,25,26)/t18-,19+,20+/m1/s1
InChIKeyCASGQJXMMUMBTN-AABGKKOBSA-N
XLogP3.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The IUPAC name of [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 46218918) is [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is Cc1ccc(NC[C@@H]2C[C@H]3C[C@H]3CN2C(=O)c2nc(C)ccc2OCC2CC2)nc1.
What is the InChIKey of [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The InChIKey is CASGQJXMMUMBTN-AABGKKOBSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-3-8-22(25-11-15)26-12-20-10-18-9-19(18)13-28(20)24(29)23-21(7-4-16(2)27-23)30-14-17-5-6-17/h3-4,7-8,11,17-20H,5-6,9-10,12-14H2,1-2H3,(H,25,26)/t18-,19+,20+/m1/s1.
What are the key properties of [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 406.53 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 46218918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).