N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine

C35H40N6O — CID 123416845

IUPACN-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOc1ccccc1C(Cc1ccccn1)NC1=NCCC1.c1ccc([C@H](Cc2ccncc2)NC2=NCCC2)cc1
InChIInChI=1S/C18H21N3O.C17H19N3/c1-22-17-9-3-2-8-15(17)16(21-18-10-6-12-20-18)13-14-7-4-5-11-19-14;1-2-5-15(6-3-1)16(20-17-7-4-10-19-17)13-14-8-11-18-12-9-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,20,21);1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,19,20)/t;16-/m.0/s1
InChIKeyMVTRABJPFCIFSB-SFVHDIHTSA-N
MW560.75 g/mol
LogP6.30
Rot. Bonds9

About N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 123416845) has the molecular formula C35H40N6O and a molecular weight of 560.75 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID123416845
Molecular FormulaC35H40N6O
Molecular Weight560.75 g/mol
Exact Mass560.33
IUPAC NameN-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOc1ccccc1C(Cc1ccccn1)NC1=NCCC1.c1ccc([C@H](Cc2ccncc2)NC2=NCCC2)cc1
InChIInChI=1S/C18H21N3O.C17H19N3/c1-22-17-9-3-2-8-15(17)16(21-18-10-6-12-20-18)13-14-7-4-5-11-19-14;1-2-5-15(6-3-1)16(20-17-7-4-10-19-17)13-14-8-11-18-12-9-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,20,21);1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,19,20)/t;16-/m.0/s1
InChIKeyMVTRABJPFCIFSB-SFVHDIHTSA-N
XLogP6.30
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.75
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine with MolForge

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Related Compounds

N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
[1-(3-methoxy-4-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315394
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81397062
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 82808005
4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972
3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(2,3,4,5-tetrahydropyridin-6-ylamino)propanoic acid
CID 22898628
N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
CID 102584855
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410530
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 105158151
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 123416845) is N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine is COc1ccccc1C(Cc1ccccn1)NC1=NCCC1.c1ccc([C@H](Cc2ccncc2)NC2=NCCC2)cc1.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is MVTRABJPFCIFSB-SFVHDIHTSA-N. The full InChI is InChI=1S/C18H21N3O.C17H19N3/c1-22-17-9-3-2-8-15(17)16(21-18-10-6-12-20-18)13-14-7-4-5-11-19-14;1-2-5-15(6-3-1)16(20-17-7-4-10-19-17)13-14-8-11-18-12-9-14/h2-5,7-9,11,16H,6,10,12-13H2,1H3,(H,20,21);1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,19,20)/t;16-/m.0/s1.
What are the key properties of N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 560.75 g/mol, XLogP of 6.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 123416845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).