(4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine

C21H27N3O — CID 97224299

IUPAC(4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(C)c2c(c1)[C@H](NCc1ccc(N3CCCC3)nc1)CCO2
InChIInChI=1S/C21H27N3O/c1-15-11-16(2)21-18(12-15)19(7-10-25-21)22-13-17-5-6-20(23-14-17)24-8-3-4-9-24/h5-6,11-12,14,19,22H,3-4,7-10,13H2,1-2H3/t19-/m1/s1
InChIKeyNIDBOGLAODWHOF-LJQANCHMSA-N
MW337.47 g/mol
LogP3.91
Rot. Bonds4

About (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine

(4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 97224299) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID97224299
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(C)c2c(c1)[C@H](NCc1ccc(N3CCCC3)nc1)CCO2
InChIInChI=1S/C21H27N3O/c1-15-11-16(2)21-18(12-15)19(7-10-25-21)22-13-17-5-6-20(23-14-17)24-8-3-4-9-24/h5-6,11-12,14,19,22H,3-4,7-10,13H2,1-2H3/t19-/m1/s1
InChIKeyNIDBOGLAODWHOF-LJQANCHMSA-N
XLogP3.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
2-methyl-1-(oxolan-2-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111139023
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 56820886
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
CID 100752528
N-[[6-(4,4-diethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63160054
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
2-morpholin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 120915183
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303

Frequently Asked Questions

What is the IUPAC name of (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 97224299) is (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1cc(C)c2c(c1)[C@H](NCc1ccc(N3CCCC3)nc1)CCO2.
What is the InChIKey of (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NIDBOGLAODWHOF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-11-16(2)21-18(12-15)19(7-10-25-21)22-13-17-5-6-20(23-14-17)24-8-3-4-9-24/h5-6,11-12,14,19,22H,3-4,7-10,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
(4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 337.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 97224299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).