[6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

C17H24N6O2 — CID 74246960

IUPAC[6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCN(Cc3nc[nH]c3C)CC(O)C2)ccn1
InChIInChI=1S/C17H24N6O2/c1-12-15(21-11-20-12)10-22-5-6-23(9-14(24)8-22)17(25)13-3-4-19-16(7-13)18-2/h3-4,7,11,14,24H,5-6,8-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOFZQASUJDBSRFT-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.47
Rot. Bonds4

About [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

[6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 74246960) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID74246960
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCN(Cc3nc[nH]c3C)CC(O)C2)ccn1
InChIInChI=1S/C17H24N6O2/c1-12-15(21-11-20-12)10-22-5-6-23(9-14(24)8-22)17(25)13-3-4-19-16(7-13)18-2/h3-4,7,11,14,24H,5-6,8-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOFZQASUJDBSRFT-UHFFFAOYSA-N
XLogP0.47
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125012536
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
(9aR)-2-[2-(methylamino)pyridine-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95121807
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
[6-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 86284959
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840
(2R)-N-cyclopentyl-4-[2-(methylamino)pyridine-4-carbonyl]morpholine-2-carboxamide
CID 92633303
N-cyclopentyl-4-[2-(methylamino)pyridine-4-carbonyl]morpholine-2-carboxamide
CID 110246675
[2-(methylamino)-4-pyridinyl]-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95722811
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56908104
3-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 74246960) is [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCN(Cc3nc[nH]c3C)CC(O)C2)ccn1.
What is the InChIKey of [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is OFZQASUJDBSRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-15(21-11-20-12)10-22-5-6-23(9-14(24)8-22)17(25)13-3-4-19-16(7-13)18-2/h3-4,7,11,14,24H,5-6,8-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 344.42 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 74246960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).