(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine

C20H25N5O — CID 131969524

IUPAC(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine
SMILES[H]/N=C(\c1ccnc(N2CC[C@@H](N)C2)c1)c1cc(OC2(C)CC2)ccc1N
InChIInChI=1S/C20H25N5O/c1-20(6-7-20)26-15-2-3-17(22)16(11-15)19(23)13-4-8-24-18(10-13)25-9-5-14(21)12-25/h2-4,8,10-11,14,23H,5-7,9,12,21-22H2,1H3/b23-19+/t14-/m1/s1
InChIKeyGIJATGFDYOPBJA-BUABVIFSSA-N
MW351.45 g/mol
LogP2.55
Rot. Bonds5

About (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine

(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 131969524) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine
PubChem CID131969524
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine
SMILES[H]/N=C(\c1ccnc(N2CC[C@@H](N)C2)c1)c1cc(OC2(C)CC2)ccc1N
InChIInChI=1S/C20H25N5O/c1-20(6-7-20)26-15-2-3-17(22)16(11-15)19(23)13-4-8-24-18(10-13)25-9-5-14(21)12-25/h2-4,8,10-11,14,23H,5-7,9,12,21-22H2,1H3/b23-19+/t14-/m1/s1
InChIKeyGIJATGFDYOPBJA-BUABVIFSSA-N
XLogP2.55
TPSA101.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine (CID 131969524) is (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine is [H]/N=C(\c1ccnc(N2CC[C@@H](N)C2)c1)c1cc(OC2(C)CC2)ccc1N.
What is the InChIKey of (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is GIJATGFDYOPBJA-BUABVIFSSA-N. The full InChI is InChI=1S/C20H25N5O/c1-20(6-7-20)26-15-2-3-17(22)16(11-15)19(23)13-4-8-24-18(10-13)25-9-5-14(21)12-25/h2-4,8,10-11,14,23H,5-7,9,12,21-22H2,1H3/b23-19+/t14-/m1/s1.
What are the key properties of (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine?
(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 351.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 131969524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).