4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine

C21H27N7O — CID 144795352

IUPAC4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine
SMILES[H]/N=C(\c1ccnc(N2CC(N(/C=C\C)N=C)C2)c1)c1cc(OC(C)C)ncc1N
InChIInChI=1S/C21H27N7O/c1-5-8-28(24-4)16-12-27(13-16)19-9-15(6-7-25-19)21(23)17-10-20(29-14(2)3)26-11-18(17)22/h5-11,14,16,23H,4,12-13,22H2,1-3H3/b8-5-,23-21+
InChIKeySXJJNKAJAMPSAK-OOWXNYEHSA-N
MW393.50 g/mol
LogP2.90
Rot. Bonds8

About 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine

4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine (PubChem CID 144795352) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine
PubChem CID144795352
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine
SMILES[H]/N=C(\c1ccnc(N2CC(N(/C=C\C)N=C)C2)c1)c1cc(OC(C)C)ncc1N
InChIInChI=1S/C21H27N7O/c1-5-8-28(24-4)16-12-27(13-16)19-9-15(6-7-25-19)21(23)17-10-20(29-14(2)3)26-11-18(17)22/h5-11,14,16,23H,4,12-13,22H2,1-3H3/b8-5-,23-21+
InChIKeySXJJNKAJAMPSAK-OOWXNYEHSA-N
XLogP2.90
TPSA103.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
4-[2-[4-[(3-methoxycyclobutyl)methyl]piperazin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine;molecular hydrogen
CID 144795250
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795228
2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridine-4-carboximidoyl]benzene-1,4-diamine
CID 159549771
3-(2-morpholin-4-ylpyridine-4-carboximidoyl)-5-propan-2-yloxypyridin-2-amine
CID 139566238
(NZ)-N-[1-[4-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]piperazin-1-yl]-1-iminopropan-2-ylidene]hydroxylamine
CID 144697636
4-ethoxy-2-[2-(3-methoxyazetidin-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697647
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216
2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139566251

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine?
The IUPAC name of 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine (CID 144795352) is 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine is [H]/N=C(\c1ccnc(N2CC(N(/C=C\C)N=C)C2)c1)c1cc(OC(C)C)ncc1N.
What is the InChIKey of 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine?
The InChIKey is SXJJNKAJAMPSAK-OOWXNYEHSA-N. The full InChI is InChI=1S/C21H27N7O/c1-5-8-28(24-4)16-12-27(13-16)19-9-15(6-7-25-19)21(23)17-10-20(29-14(2)3)26-11-18(17)22/h5-11,14,16,23H,4,12-13,22H2,1-3H3/b8-5-,23-21+.
What are the key properties of 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine?
4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine has a molecular weight of 393.50 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(methylideneamino)-[(Z)-prop-1-enyl]amino]azetidin-1-yl]pyridine-4-carboximidoyl]-6-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 144795352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).