N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride

C19H23Cl2FN4O2 — CID 159154271

IUPACN-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride
SMILESC[C@H](CNC=O)N[C@@H](c1ccc(Cl)c(Oc2ccc(N)nc2)c1F)C1CC1.Cl
InChIInChI=1S/C19H22ClFN4O2.ClH/c1-11(8-23-10-26)25-18(12-2-3-12)14-5-6-15(20)19(17(14)21)27-13-4-7-16(22)24-9-13;/h4-7,9-12,18,25H,2-3,8H2,1H3,(H2,22,24)(H,23,26);1H/t11-,18-;/m1./s1
InChIKeyMXQXQWMIEXOQEB-SDRHMFFJSA-N
MW429.32 g/mol
LogP3.85
Rot. Bonds9

About N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride

N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride (PubChem CID 159154271) has the molecular formula C19H23Cl2FN4O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride
PubChem CID159154271
Molecular FormulaC19H23Cl2FN4O2
Molecular Weight429.32 g/mol
Exact Mass428.12
IUPAC NameN-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride
SMILESC[C@H](CNC=O)N[C@@H](c1ccc(Cl)c(Oc2ccc(N)nc2)c1F)C1CC1.Cl
InChIInChI=1S/C19H22ClFN4O2.ClH/c1-11(8-23-10-26)25-18(12-2-3-12)14-5-6-15(20)19(17(14)21)27-13-4-7-16(22)24-9-13;/h4-7,9-12,18,25H,2-3,8H2,1H3,(H2,22,24)(H,23,26);1H/t11-,18-;/m1./s1
InChIKeyMXQXQWMIEXOQEB-SDRHMFFJSA-N
XLogP3.85
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]butanamide
CID 78116848
N-[(2R)-2-[[(1R)-1-[4-chloro-2-fluoro-3-[4-(1H-pyrazol-5-yl)phenoxy]phenyl]propyl]amino]propyl]formamide;hydrochloride
CID 159802529
5-[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenoxy]-N-methylpyridin-2-amine;molecular hydrogen
CID 158976164
5-(1-cyclopropylethoxy)pyridin-2-amine
CID 163237612
(3R)-3-[[(1R)-1-[3-(4-amino-3-methylphenoxy)-4-chloro-2-fluorophenyl]propyl]amino]butanamide
CID 71556731
(R)-N-[(1R)-1-[4-chloro-3-[[6-(dimethylamino)-3-pyridinyl]oxy]-2-fluorophenyl]propyl]-2-methylpropane-2-sulfinamide
CID 131741291
[5-[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenoxy]-2-fluorophenyl]methyl N-(cyclopropylmethyl)carbamate;hydrochloride
CID 131741260
N-[[4-[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenoxy]phenyl]methylidene]hydroxylamine
CID 131741267
[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride
CID 140666617
N-(2-amino-1-cyclopropylethyl)-2-(3,4-dichlorophenoxy)propanamide;hydrochloride
CID 119613645
[5-[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenoxy]-2-fluorophenyl]methyl 3-cyclopropylpropanoate
CID 158230142
N-(2-aminoethyl)-2-[[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]amino]propanamide
CID 140655371

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride?
The IUPAC name of N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride (CID 159154271) is N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride is C[C@H](CNC=O)N[C@@H](c1ccc(Cl)c(Oc2ccc(N)nc2)c1F)C1CC1.Cl.
What is the InChIKey of N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride?
The InChIKey is MXQXQWMIEXOQEB-SDRHMFFJSA-N. The full InChI is InChI=1S/C19H22ClFN4O2.ClH/c1-11(8-23-10-26)25-18(12-2-3-12)14-5-6-15(20)19(17(14)21)27-13-4-7-16(22)24-9-13;/h4-7,9-12,18,25H,2-3,8H2,1H3,(H2,22,24)(H,23,26);1H/t11-,18-;/m1./s1.
What are the key properties of N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride?
N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride has a molecular weight of 429.32 g/mol, XLogP of 3.85, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[(R)-[3-[(6-amino-3-pyridinyl)oxy]-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]propyl]formamide;hydrochloride is sourced from PubChem (CID 159154271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).