2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine

C17H26N6 — CID 129343785

IUPAC2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
SMILESCN(C)c1ccc(N[C@H]2CCCN(Cc3ccn[nH]3)CC2)cn1
InChIInChI=1S/C17H26N6/c1-22(2)17-6-5-15(12-18-17)20-14-4-3-10-23(11-8-14)13-16-7-9-19-21-16/h5-7,9,12,14,20H,3-4,8,10-11,13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyXLZMTMFYXGKALT-AWEZNQCLSA-N
MW314.44 g/mol
LogP2.34
Rot. Bonds5

About 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine (PubChem CID 129343785) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
PubChem CID129343785
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
SMILESCN(C)c1ccc(N[C@H]2CCCN(Cc3ccn[nH]3)CC2)cn1
InChIInChI=1S/C17H26N6/c1-22(2)17-6-5-15(12-18-17)20-14-4-3-10-23(11-8-14)13-16-7-9-19-21-16/h5-7,9,12,14,20H,3-4,8,10-11,13H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyXLZMTMFYXGKALT-AWEZNQCLSA-N
XLogP2.34
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-dimethyl-5-N-[(4R)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343786
3-[[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methyl]benzamide
CID 129333344
(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
CID 42194213
2-N,2-N-dimethyl-5-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2,5-diamine
CID 43690467
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 129339517
5-N-[(4R)-1-(5-fluoropyrimidin-2-yl)azepan-4-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 129333655
(4R)-N-cyclopropyl-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129341635
5-N-(azepan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine;trihydrochloride
CID 86775335
1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 129343155
(4S)-N-(cyclopropylmethyl)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepane-1-carboxamide
CID 129330609
[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone
CID 129333457

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine (CID 129343785) is 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine is CN(C)c1ccc(N[C@H]2CCCN(Cc3ccn[nH]3)CC2)cn1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine?
The InChIKey is XLZMTMFYXGKALT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N6/c1-22(2)17-6-5-15(12-18-17)20-14-4-3-10-23(11-8-14)13-16-7-9-19-21-16/h5-7,9,12,14,20H,3-4,8,10-11,13H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine has a molecular weight of 314.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine is sourced from PubChem (CID 129343785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).