N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C24H24N4O2 — CID 59374044

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H24N4O2/c29-23(28-21-15-16-6-7-17(21)14-16)20-4-3-13-26-24(20)30-19-10-8-18(9-11-19)27-22-5-1-2-12-25-22/h1-5,8-13,16-17,21H,6-7,14-15H2,(H,25,27)(H,28,29)/t16-,17+,21+/m0/s1
InChIKeyIDSPRTMMNVDZGB-CSODHUTKSA-N
MW400.48 g/mol
LogP4.93
Rot. Bonds6

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374044) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374044
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H24N4O2/c29-23(28-21-15-16-6-7-17(21)14-16)20-4-3-13-26-24(20)30-19-10-8-18(9-11-19)27-22-5-1-2-12-25-22/h1-5,8-13,16-17,21H,6-7,14-15H2,(H,25,27)(H,28,29)/t16-,17+,21+/m0/s1
InChIKeyIDSPRTMMNVDZGB-CSODHUTKSA-N
XLogP4.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374044) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is IDSPRTMMNVDZGB-CSODHUTKSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23(28-21-15-16-6-7-17(21)14-16)20-4-3-13-26-24(20)30-19-10-8-18(9-11-19)27-22-5-1-2-12-25-22/h1-5,8-13,16-17,21H,6-7,14-15H2,(H,25,27)(H,28,29)/t16-,17+,21+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).