N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C23H25N5O3 — CID 59374073

IUPACN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOC[C@@H]1CCCN1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H25N5O3/c1-30-16-18-6-5-15-28(18)27-22(29)20-7-4-14-25-23(20)31-19-11-9-17(10-12-19)26-21-8-2-3-13-24-21/h2-4,7-14,18H,5-6,15-16H2,1H3,(H,24,26)(H,27,29)/t18-/m0/s1
InChIKeySNHHCTLDEGDFQK-SFHVURJKSA-N
MW419.49 g/mol
LogP3.77
Rot. Bonds8

About N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374073) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374073
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOC[C@@H]1CCCN1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H25N5O3/c1-30-16-18-6-5-15-28(18)27-22(29)20-7-4-14-25-23(20)31-19-11-9-17(10-12-19)26-21-8-2-3-13-24-21/h2-4,7-14,18H,5-6,15-16H2,1H3,(H,24,26)(H,27,29)/t18-/m0/s1
InChIKeySNHHCTLDEGDFQK-SFHVURJKSA-N
XLogP3.77
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374073) is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is COC[C@@H]1CCCN1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is SNHHCTLDEGDFQK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-16-18-6-5-15-28(18)27-22(29)20-7-4-14-25-23(20)31-19-11-9-17(10-12-19)26-21-8-2-3-13-24-21/h2-4,7-14,18H,5-6,15-16H2,1H3,(H,24,26)(H,27,29)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).