N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide

C20H24N4O2 — CID 67208629

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide
SMILESC=C(O/C(=C\N)Cc1ccccc1)C(=O)NCc1c(C)cc(N)nc1C
InChIInChI=1S/C20H24N4O2/c1-13-9-19(22)24-14(2)18(13)12-23-20(25)15(3)26-17(11-21)10-16-7-5-4-6-8-16/h4-9,11H,3,10,12,21H2,1-2H3,(H2,22,24)(H,23,25)/b17-11-
InChIKeyDPWBLAYRTZCQLH-BOPFTXTBSA-N
MW352.44 g/mol
LogP2.47
Rot. Bonds7

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide (PubChem CID 67208629) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide
PubChem CID67208629
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide
SMILESC=C(O/C(=C\N)Cc1ccccc1)C(=O)NCc1c(C)cc(N)nc1C
InChIInChI=1S/C20H24N4O2/c1-13-9-19(22)24-14(2)18(13)12-23-20(25)15(3)26-17(11-21)10-16-7-5-4-6-8-16/h4-9,11H,3,10,12,21H2,1-2H3,(H2,22,24)(H,23,25)/b17-11-
InChIKeyDPWBLAYRTZCQLH-BOPFTXTBSA-N
XLogP2.47
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
CID 139341058
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
CID 58081339
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
CID 66723765
(Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide
CID 67208656
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-benzyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836332
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide
CID 58081313
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 56836261
3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-5-methyltriazol-4-yl)propan-1-one
CID 58081295
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide
CID 156523967

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide (CID 67208629) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide is C=C(O/C(=C\N)Cc1ccccc1)C(=O)NCc1c(C)cc(N)nc1C.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide?
The InChIKey is DPWBLAYRTZCQLH-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-9-19(22)24-14(2)18(13)12-23-20(25)15(3)26-17(11-21)10-16-7-5-4-6-8-16/h4-9,11H,3,10,12,21H2,1-2H3,(H2,22,24)(H,23,25)/b17-11-.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide has a molecular weight of 352.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide is sourced from PubChem (CID 67208629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).