4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen

C24H36N6O2 — CID 144795250

IUPAC4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen
SMILES[H]/N=C(\c1ccnc(N2CCN(CC3CC(OC)C3)CC2)c1)c1cc(OC(C)C)ncc1N.[H][H]
InChIInChI=1S/C24H34N6O2.H2/c1-16(2)32-23-13-20(21(25)14-28-23)24(26)18-4-5-27-22(12-18)30-8-6-29(7-9-30)15-17-10-19(11-17)31-3;/h4-5,12-14,16-17,19,26H,6-11,15,25H2,1-3H3;1H/b26-24+;
InChIKeyWPLMSHGCSYHHNZ-DVNIKIMTSA-N
MW440.59 g/mol
LogP3.06
Rot. Bonds8

About 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen

4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen (PubChem CID 144795250) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen.

Molecular Properties

Compound Name4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen
PubChem CID144795250
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC Name4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen
SMILES[H]/N=C(\c1ccnc(N2CCN(CC3CC(OC)C3)CC2)c1)c1cc(OC(C)C)ncc1N.[H][H]
InChIInChI=1S/C24H34N6O2.H2/c1-16(2)32-23-13-20(21(25)14-28-23)24(26)18-4-5-27-22(12-18)30-8-6-29(7-9-30)15-17-10-19(11-17)31-3;/h4-5,12-14,16-17,19,26H,6-11,15,25H2,1-3H3;1H/b26-24+;
InChIKeyWPLMSHGCSYHHNZ-DVNIKIMTSA-N
XLogP3.06
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine
CID 144795347
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine
CID 144795352
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139566251
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795228
4-nitro-2-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]pyridine-4-carboximidoyl]aniline
CID 156866779
4-ethoxy-2-[2-(3-methoxyazetidin-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697647
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine
CID 144795261
(NZ)-N-[1-[4-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]piperazin-1-yl]-1-iminopropan-2-ylidene]hydroxylamine
CID 144697636

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen?
The IUPAC name of 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen (CID 144795250) is 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen.
What is the SMILES notation for 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen?
The canonical SMILES for 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen is [H]/N=C(\c1ccnc(N2CCN(CC3CC(OC)C3)CC2)c1)c1cc(OC(C)C)ncc1N.[H][H].
What is the InChIKey of 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen?
The InChIKey is WPLMSHGCSYHHNZ-DVNIKIMTSA-N. The full InChI is InChI=1S/C24H34N6O2.H2/c1-16(2)32-23-13-20(21(25)14-28-23)24(26)18-4-5-27-22(12-18)30-8-6-29(7-9-30)15-17-10-19(11-17)31-3;/h4-5,12-14,16-17,19,26H,6-11,15,25H2,1-3H3;1H/b26-24+;.
What are the key properties of 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen?
4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen has a molecular weight of 440.59 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen is sourced from PubChem (CID 144795250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).