1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone

C18H23N5O — CID 129343074

IUPAC1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone
SMILESNc1ccc(N[C@@H]2CCCN(C(=O)Cc3cccnc3)CC2)cn1
InChIInChI=1S/C18H23N5O/c19-17-6-5-16(13-21-17)22-15-4-2-9-23(10-7-15)18(24)11-14-3-1-8-20-12-14/h1,3,5-6,8,12-13,15,22H,2,4,7,9-11H2,(H2,19,21)/t15-/m1/s1
InChIKeyVWGXONJAALKFPP-OAHLLOKOSA-N
MW325.42 g/mol
LogP2.09
Rot. Bonds4

About 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone

1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone (PubChem CID 129343074) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone
PubChem CID129343074
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone
SMILESNc1ccc(N[C@@H]2CCCN(C(=O)Cc3cccnc3)CC2)cn1
InChIInChI=1S/C18H23N5O/c19-17-6-5-16(13-21-17)22-15-4-2-9-23(10-7-15)18(24)11-14-3-1-8-20-12-14/h1,3,5-6,8,12-13,15,22H,2,4,7,9-11H2,(H2,19,21)/t15-/m1/s1
InChIKeyVWGXONJAALKFPP-OAHLLOKOSA-N
XLogP2.09
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

1-[(4S)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 129339841
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 129339675
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone
CID 129341877
5-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 128992386
[4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
CID 128971315
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone (CID 129343074) is 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone is Nc1ccc(N[C@@H]2CCCN(C(=O)Cc3cccnc3)CC2)cn1.
What is the InChIKey of 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is VWGXONJAALKFPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O/c19-17-6-5-16(13-21-17)22-15-4-2-9-23(10-7-15)18(24)11-14-3-1-8-20-12-14/h1,3,5-6,8,12-13,15,22H,2,4,7,9-11H2,(H2,19,21)/t15-/m1/s1.
What are the key properties of 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone?
1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 325.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 129343074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).