3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide

C25H25N5O2 — CID 162527100

IUPAC3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cccc2ccc(-c3ccc(N)c(C(=O)NC4=CN(C)CCC4)n3)cc12
InChIInChI=1S/C25H25N5O2/c1-3-23(31)28-22-8-4-6-16-9-10-17(14-19(16)22)21-12-11-20(26)24(29-21)25(32)27-18-7-5-13-30(2)15-18/h3-4,6,8-12,14-15H,1,5,7,13,26H2,2H3,(H,27,32)(H,28,31)
InChIKeySEIPCAPQXJTOSZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.91
Rot. Bonds5

About 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide

3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide (PubChem CID 162527100) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide
PubChem CID162527100
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cccc2ccc(-c3ccc(N)c(C(=O)NC4=CN(C)CCC4)n3)cc12
InChIInChI=1S/C25H25N5O2/c1-3-23(31)28-22-8-4-6-16-9-10-17(14-19(16)22)21-12-11-20(26)24(29-21)25(32)27-18-7-5-13-30(2)15-18/h3-4,6,8-12,14-15H,1,5,7,13,26H2,2H3,(H,27,32)(H,28,31)
InChIKeySEIPCAPQXJTOSZ-UHFFFAOYSA-N
XLogP3.91
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide (CID 162527100) is 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide is C=CC(=O)Nc1cccc2ccc(-c3ccc(N)c(C(=O)NC4=CN(C)CCC4)n3)cc12.
What is the InChIKey of 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide?
The InChIKey is SEIPCAPQXJTOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-3-23(31)28-22-8-4-6-16-9-10-17(14-19(16)22)21-12-11-20(26)24(29-21)25(32)27-18-7-5-13-30(2)15-18/h3-4,6,8-12,14-15H,1,5,7,13,26H2,2H3,(H,27,32)(H,28,31).
What are the key properties of 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide?
3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)-6-[8-(prop-2-enoylamino)naphthalen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162527100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).