N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide

C22H24N6O — CID 155359409

IUPACN-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
SMILES[H]/N=C/N=C(\N)C/C=C(\C=C/C)NC(=O)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C22H24N6O/c1-2-3-18(7-9-21(24)27-14-23)28-22(29)20-12-16(10-11-25-20)17-6-8-19(26-13-17)15-4-5-15/h2-3,6-8,10-15H,4-5,9H2,1H3,(H,28,29)(H3,23,24,27)/b3-2-,18-7+
InChIKeyVKYGMKCYQPWGKN-BKALHGOHSA-N
MW388.48 g/mol
LogP3.57
Rot. Bonds8

About N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide

N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 155359409) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID155359409
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
SMILES[H]/N=C/N=C(\N)C/C=C(\C=C/C)NC(=O)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C22H24N6O/c1-2-3-18(7-9-21(24)27-14-23)28-22(29)20-12-16(10-11-25-20)17-6-8-19(26-13-17)15-4-5-15/h2-3,6-8,10-15H,4-5,9H2,1H3,(H,28,29)(H3,23,24,27)/b3-2-,18-7+
InChIKeyVKYGMKCYQPWGKN-BKALHGOHSA-N
XLogP3.57
TPSA117.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide (CID 155359409) is N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide is [H]/N=C/N=C(\N)C/C=C(\C=C/C)NC(=O)c1cc(-c2ccc(C3CC3)nc2)ccn1.
What is the InChIKey of N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is VKYGMKCYQPWGKN-BKALHGOHSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-3-18(7-9-21(24)27-14-23)28-22(29)20-12-16(10-11-25-20)17-6-8-19(26-13-17)15-4-5-15/h2-3,6-8,10-15H,4-5,9H2,1H3,(H,28,29)(H3,23,24,27)/b3-2-,18-7+.
What are the key properties of N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide?
N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-7-amino-7-methanimidoyliminohepta-2,4-dien-4-yl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 155359409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).