2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one

C19H31N3O2 — CID 95552651

IUPAC2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCCN(CC3CC3)[C@H](C(C)C)C2)cc1=O
InChIInChI=1S/C19H31N3O2/c1-14(2)17-13-21(7-4-8-22(17)11-15-5-6-15)12-16-9-18(23)19(24-3)10-20-16/h9-10,14-15,17H,4-8,11-13H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyFLQQMCFIEFZSJZ-KRWDZBQOSA-N
MW333.48 g/mol
LogP2.33
Rot. Bonds6

About 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one

2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 95552651) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
PubChem CID95552651
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCCN(CC3CC3)[C@H](C(C)C)C2)cc1=O
InChIInChI=1S/C19H31N3O2/c1-14(2)17-13-21(7-4-8-22(17)11-15-5-6-15)12-16-9-18(23)19(24-3)10-20-16/h9-10,14-15,17H,4-8,11-13H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyFLQQMCFIEFZSJZ-KRWDZBQOSA-N
XLogP2.33
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-(cyclopropylmethyl)-4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-propan-2-yl-1,4-diazepane
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CID 95715011
5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
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5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one
CID 91843524
2-[[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 56906119
4-[[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]phenol
CID 95435667
4-[[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]benzoic acid
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5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 56862557
5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 131934151
2-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
CID 56873895
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 95555767
(3aS,6aS)-5-cyclopentyl-2-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133124582

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one (CID 95552651) is 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(CN2CCCN(CC3CC3)[C@H](C(C)C)C2)cc1=O.
What is the InChIKey of 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is FLQQMCFIEFZSJZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)17-13-21(7-4-8-22(17)11-15-5-6-15)12-16-9-18(23)19(24-3)10-20-16/h9-10,14-15,17H,4-8,11-13H2,1-3H3,(H,20,23)/t17-/m0/s1.
What are the key properties of 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one?
2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 333.48 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 95552651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).