N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine

C19H27N5O — CID 98820820

IUPACN-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1cnc2n1CCN([C@H]1CCOC1)CC2
InChIInChI=1S/C19H27N5O/c1-22(13-16-3-2-6-20-11-16)14-18-12-21-19-4-7-23(8-9-24(18)19)17-5-10-25-15-17/h2-3,6,11-12,17H,4-5,7-10,13-15H2,1H3/t17-/m0/s1
InChIKeyCHHNCYBLWZBWIG-KRWDZBQOSA-N
MW341.46 g/mol
LogP1.56
Rot. Bonds5

About N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine

N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 98820820) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID98820820
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1cnc2n1CCN([C@H]1CCOC1)CC2
InChIInChI=1S/C19H27N5O/c1-22(13-16-3-2-6-20-11-16)14-18-12-21-19-4-7-23(8-9-24(18)19)17-5-10-25-15-17/h2-3,6,11-12,17H,4-5,7-10,13-15H2,1H3/t17-/m0/s1
InChIKeyCHHNCYBLWZBWIG-KRWDZBQOSA-N
XLogP1.56
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine with MolForge

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Related Compounds

1-(furan-2-yl)-N-methyl-N-[[7-(oxan-4-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanamine;bis(2,2,2-trifluoroacetic acid)
CID 155836587
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 171693574
1-methyl-N-[[7-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrrole-2-carboxamide
CID 97467216
1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide
CID 131653513
1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]imidazole-2-carboxamide
CID 131654713
1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495779
2-[methyl(pyridin-3-ylmethyl)amino]-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethanone
CID 95707541
1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
CID 134079354
1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 135106237
7-[[(3R)-oxolan-3-yl]methyl]-3-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 95715174
7-(oxolan-3-ylmethyl)-3-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 56901733
N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 95285929

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine (CID 98820820) is N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine is CN(Cc1cccnc1)Cc1cnc2n1CCN([C@H]1CCOC1)CC2.
What is the InChIKey of N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is CHHNCYBLWZBWIG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-22(13-16-3-2-6-20-11-16)14-18-12-21-19-4-7-23(8-9-24(18)19)17-5-10-25-15-17/h2-3,6,11-12,17H,4-5,7-10,13-15H2,1H3/t17-/m0/s1.
What are the key properties of N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine?
N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 341.46 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[7-[(3S)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 98820820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).