N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine

C22H28N6 — CID 95813665

IUPACN-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
SMILESCCn1cc(CN2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1
InChIInChI=1S/C22H28N6/c1-3-28-15-18(12-25-28)14-27-11-5-7-19(16-27)21-9-8-20(13-24-21)26-22-17(2)6-4-10-23-22/h4,6,8-10,12-13,15,19H,3,5,7,11,14,16H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyJNBDGUIGMPNOLP-LJQANCHMSA-N
MW376.51 g/mol
LogP4.12
Rot. Bonds6

About N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine

N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine (PubChem CID 95813665) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
PubChem CID95813665
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC NameN-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
SMILESCCn1cc(CN2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1
InChIInChI=1S/C22H28N6/c1-3-28-15-18(12-25-28)14-27-11-5-7-19(16-27)21-9-8-20(13-24-21)26-22-17(2)6-4-10-23-22/h4,6,8-10,12-13,15,19H,3,5,7,11,14,16H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyJNBDGUIGMPNOLP-LJQANCHMSA-N
XLogP4.12
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95813646
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124970369
2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
CID 95834977
N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 95834146
3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 124974463
3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 124974464
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
N-[6-[(3R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 95813639
1-[3-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110252398
(2-methyl-1,3-benzothiazol-6-yl)-[(3S)-3-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95813661
N-[6-[(2R)-4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 125018681
6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265515

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine (CID 95813665) is N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine is CCn1cc(CN2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1.
What is the InChIKey of N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine?
The InChIKey is JNBDGUIGMPNOLP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N6/c1-3-28-15-18(12-25-28)14-27-11-5-7-19(16-27)21-9-8-20(13-24-21)26-22-17(2)6-4-10-23-22/h4,6,8-10,12-13,15,19H,3,5,7,11,14,16H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine?
N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine has a molecular weight of 376.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 95813665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).